SCHEMBL647765

SCHEMBL647765

CS(=O)(=O)Cc1ccccc1CCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
FFAR1 O14842 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
NQO2 P16083 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
PSIP1 O75475 1/20 0.32

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
SCHEMBL9256894 0.82 GABRA1 (0.41) ALDH1A1TSHRCA1CA2LMNA
SCHEMBL23004816 0.78 PNMT (0.41) CA1CA2LMNAGAAALOX15
SCHEMBL513342 0.78 ALDH1A1 (0.53) ALDH1A1TSHRMAPTKMT2AKDM4E
SCHEMBL21587749 0.78 CA1 (0.39) ALDH1A1TSHRCA1CA2LMNA
SCHEMBL2376651 0.76 ALDH1A1 (0.49) ALDH1A1TSHRCA2LMNAGAA
SCHEMBL30659891 0.76 GAA (0.43) ALDH1A1CA1CA2LMNAGAA
SCHEMBL2634762 0.76 GAA (0.43) ALDH1A1CA1CA2LMNAGAA
SCHEMBL150237 0.75 TSHR (0.50) ALDH1A1TSHRLMNAKMT2AAURKA
SCHEMBL29350459 0.75 TSHR (0.50) ALDH1A1TSHRLMNAKMT2AAURKA
SCHEMBL3147023 0.75 PSIP1 (0.48) ALDH1A1TSHRLMNATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679171-B Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2012-12-12 CN disclosed
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-7851659-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
CN-101679171-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 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 (2 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR ALDH1A1 2398/4885TSHR 714/4885CA1 4477/4885
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 ALDH1A1 94/4885TSHR 2696/4885CA1 610/4885

“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.