SCHEMBL21997522

SCHEMBL21997522

O=C1c2ccccc2C(=O)N1CCCOCCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.57

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 20)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.43
CA2 known ✓ P00918 1/20 0.43
CA4 known ✓ P22748 1/20 0.43
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.54
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.42
CHRM2 P08172 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL34464125 1.00 RAB9A (0.54) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL21195493 0.85 TDP1 (0.55) CYP1A2CYP2C19CYP2D6TDP1L3MBTL1
SCHEMBL29387521 0.85 TDP1 (0.55) CYP1A2CYP2C19CYP2D6TDP1L3MBTL1
Potassium Ion SCHEMBL2284212 0.85 CYP1A2 (0.53) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL21996989 0.84 RAB9A (0.55) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL21997427 0.84 MAPT (0.55) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C19
Potassium Ion SCHEMBL5652079 0.83 TDP1 (0.53) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL10557663 0.83 MAPT (0.69) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL21997521 0.83 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL10337042 0.80 MAPT (0.64) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C19

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886904-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-04-22 EP disclosed
US-20250163042-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-05-22 US disclosed
US-12258341-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2025-03-25 US disclosed
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20220324854-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-13 US disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 US disclosed
EP-3886904-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2021-10-06 EP disclosed
US-11117889-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2021-09-14 US disclosed
WO-2020113233-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-06-04 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 (8 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-12258341-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CA1 4622/4885CA2 4617/4885CA4 4210/4885
US-20250163042-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CA1 4622/4885CA2 4617/4885CA4 4210/4885
US-11117889-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CA1 4622/4885CA2 4617/4885CA4 4210/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CA1 4622/4885CA2 4617/4885CA4 4210/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CA1 4622/4885CA2 4617/4885CA4 4210/4885
US-20220324854-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CA1 4622/4885CA2 4617/4885CA4 4210/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CA1 4622/4885CA2 4617/4885CA4 4210/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CA1 4622/4885CA2 4617/4885CA4 4210/4885

“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.