SCHEMBL913738

SCHEMBL913738

CC(C)COC[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)[O-].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 1.00
CAPN1 P07384 14/20 0.40
CTSB P07858 3/20 0.40
CAPN9 O14815 2/20 0.40
MAPK1 P28482 2/20 0.40
CTSL P07711 3/20 0.39
LMNA P02545 2/20 0.39
CTSG P08311 1/20 0.39
CTSH P09668 1/20 0.34
CTSS P25774 1/20 0.34
CTSC P53634 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2078877 0.97 CTSK (0.95) CTSKCAPN1CTSBCAPN9MAPK1
Lithium Ion SCHEMBL913545 0.97 CTSK (0.95) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL2079725 0.97 CTSK (0.95) CTSKCAPN1CTSBCAPN9MAPK1
Potassium Ion SCHEMBL913496 0.97 CTSK (0.95) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL6735420 0.86 CTSK (0.76) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL7206790 0.86 CTSK (0.76) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL913603 0.86 CTSK (0.76) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL913547 0.85 CTSK (0.74) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL2730672 0.85 CTSK (0.74) CTSKCAPN1CTSBCAPN9MAPK1
SCHEMBL14345721 0.82 CTSK (0.69) CTSKCAPN1CTSBCAPN9MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142126-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES HEALION BIO., INC. (US) 2023-05-11 US claimed
EP-4149552-A1 COMPOSITIONS AND METHODS FOR INCREASING EFFICACY OF A DRUG Healion Bio, Inc. (US) 2023-03-22 EP claimed
WO-2022072504-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES HEALION BIO, INC. (US) 2022-04-07 WO claimed
US-8163942-B2 Salt of (2S, 3S)-3-[[(1S)-1-isobutoxymethyl-3-methylbutyl]carbamoyl]oxirane-2-carboxylic acid VELCURA THERAPEUTICS, INC. (US) 2012-04-24 US claimed
US-20110092484-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR CEREBRAL ANEURYSM NIPPON CHEMIPHAR CO., LTD. (JP) 2011-04-21 US claimed
EP-1619190-B1 SALTS OF (2S,3S)-3- [[(1S)-1-ISOBUTOXYMETHYL-3-METHYLBUTYL]CARBAMOYL] OXIRANE-2-CARBOXYLIC ACID NIPPON CHEMIPHAR CO (JP) 2010-12-29 EP claimed
US-20260144674-A1 Apparatus and Methods for Drug Delivery Using Microneedles CLEARSIDE BIOMEDICAL, INC. (US) 2026-05-28 US disclosed
EP-4735446-A1 SALTS AND SOLID FORMS OF A COMPOUND THAT MODULATES IRAK4 GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
EP-4735431-A2 MK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
US-20260035374-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES GILEAD SCIENCES INC (US) 2026-02-05 US disclosed
EP-4674484-A2 THIENOPYRROLE COMPOUNDS Gilead Sciences, Inc. (US) 2026-01-07 EP disclosed
US-20250345206-A1 APPARATUS AND METHODS FOR OCULAR INJECTION CLEARSIDE BIOMEDICAL, INC. (US) 2025-11-13 US disclosed
US-12454520-B2 Protein degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2025-10-28 US disclosed
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-03-31 US disclosed
US-8163942-B2 Salt of (2S, 3S)-3-[[(1S)-1-isobutoxymethyl-3-methylbutyl]carbamoyl]oxirane-2-carboxylic acid VELCURA THERAPEUTICS, INC. (US) 2012-04-24 US disclosed
JP-2011241148-A SOLID PREPARATION FOR MEDICAL USE NIPPON CHEMIPHAR CO LTD 2011-12-01 JP disclosed
US-20110092484-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR CEREBRAL ANEURYSM NIPPON CHEMIPHAR CO., LTD. (JP) 2011-04-21 US disclosed
WO-2011037100-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR GUM DISEASE OR APICAL PERIODONTITIS 日本ケミファ株式会社 (JP) 2011-03-31 WO disclosed
US-20110003993-A1 SALT OF (2S, 3S) -3- [ [ (1S) -1- ISOBUTOXYMETHYL-3-METHYLBUTYL] CARBAMYL] OXIRANE-2-CARBOXYLIC ACID NIPPON CHEMIPHAR CO., LTD. (JP) 2011-01-06 US disclosed
WO-2010027101-A1 SOLID PREPARATION FOR MEDICAL USE 日本ケミファ株式会社 (JP) 2010-03-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260035374-A1 PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES IRAK4, IRAK1, IRAK2 CTSK 3885/4885CAPN1 3161/4885CTSB 3770/4885
US-20220098187-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 CTSK 4222/4885CAPN1 4648/4885CTSB 4429/4885
US-20230142126-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES CTSV, CTSB, CTSS CTSK 11/4885CAPN1 226/4885CTSB 2/4885
US-20260144674-A1 Apparatus and Methods for Drug Delivery Using Microneedles PROKR2, SLC10A2, GLP1R CTSK 2995/4885CAPN1 2602/4885CTSB 2257/4885
US-12454520-B2 Protein degraders and uses thereof MDM2, CUL1, PSMG3 CTSK 1332/4885CAPN1 586/4885CTSB 700/4885
US-20110092484-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR CEREBRAL ANEURYSM SERPINB1, ECE1, MME CTSK 141/4885CAPN1 219/4885CTSB 100/4885
US-20110003993-A1 SALT OF (2S, 3S) -3- [ [ (1S) -1- ISOBUTOXYMETHYL-3-METHYLBUTYL] CARBAMYL] OXIRANE-2-CARBOXYLIC ACID SLC7A1, CACNA1S, SLC7A5 CTSK 823/4885CAPN1 663/4885CTSB 814/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.