SCHEMBL468023

SCHEMBL468023

Cc1nc(CS(=O)(=O)[O-])cs1.[Na+]

nearest known ligand 0.49

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 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
LMNA P02545 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
STAT3 P40763 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1272696 0.81 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL467943 0.79 KMT2A (0.48) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL14562445 0.79 KMT2A (0.46) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL3545066 0.79 KMT2A (0.46) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL1272693 0.79 KMT2A (0.46) KMT2AMEN1LMNAALDH1A1HTT
Hydrochloric Acid SCHEMBL20502491 0.78 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL468025 0.78 KMT2A (0.45) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL24549368 0.74 ALDH1A1 (0.51) KMT2AMEN1LMNAALDH1A1HTT
SCHEMBL2845442 0.71
SCHEMBL7601458 0.70 KMT2A (0.40) KMT2AMEN1LMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152023-B2 Compositions, formulations and methods for treating ocular diseases EyePoint Pharmaceuticals, Inc. (US) 2024-11-26 US disclosed
EP-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 EP disclosed
US-20220274976-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES EyePoint, Inc. 2022-09-01 US disclosed
US-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE EyePoint Pharmaceuticals, Inc. 2012-03-29 US disclosed
US-8106078-B2 Human protein tyrosine phosphatase inhibitors and methods of use WARNER CHILCOTT COMPANY, LLC (US) 2012-01-31 US disclosed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2011-11-03 US disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2011-09-01 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 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 (5 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-20120077975-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHOD OF USE PTPRCAP, PPP5C, PTPRO KMT2A 3527/4885MEN1 3862/4885LMNA 4502/4885
US-20110212951-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C KMT2A 3554/4885MEN1 3881/4885LMNA 4426/4885
US-20110268694-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 KMT2A 3236/4885MEN1 999/4885LMNA 900/4885
US-20220274976-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES TIE1, TEK, KDR KMT2A 1502/4885MEN1 875/4885LMNA 3522/4885
US-12152023-B2 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR KMT2A 1502/4885MEN1 875/4885LMNA 3522/4885

“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.