SCHEMBL6317837

SCHEMBL6317837

CCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
GRIN2C Q14957 1/20 0.59
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 8/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 4/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 3/20 0.50
HTT P42858 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP1A2 P05177 1/20 0.49
PTPN2 P17706 1/20 0.46
PTPRB P23467 1/20 0.46
PTPN6 P29350 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46

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
SCHEMBL5554897 0.84 ALDH1A1 (0.60) ALDH1A1GRIN2CKMT2AMEN1SMN1; SMN2
SCHEMBL13431179 0.83 ALDH1A1 (0.53) ALDH1A1GRIN2CKMT2AMEN1SMN1; SMN2
SCHEMBL6316701 0.82 ALDH1A1 (0.46) ALDH1A1GRIN2CKMT2AMEN1SMN1; SMN2
SCHEMBL6311647 0.82 ALDH1A1 (0.43) ALDH1A1GRIN2CKMT2AMEN1SMN1; SMN2
SCHEMBL13431200 0.81 ALDH1A1 (0.66) ALDH1A1GRIN2CKMT2AMEN1SMN1; SMN2
SCHEMBL6318495 0.80 ALDH1A1 (0.44) ALDH1A1GRIN2CKMT2AMEN1SMN1; SMN2
SCHEMBL6311869 0.80 ALDH1A1 (0.44) ALDH1A1GRIN2CKMT2AMEN1SMN1; SMN2
SCHEMBL6316825 0.80 HSD17B10 (0.48) ALDH1A1GRIN2CKMT2AMEN1SMN1; SMN2
SCHEMBL6311503 0.80 ALDH1A1 (0.42) ALDH1A1GRIN2CKMT2AMEN1SMN1; SMN2
SCHEMBL6317833 0.79 NPSR1 (0.55) ALDH1A1GRIN2CKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US claimed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US claimed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US claimed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US disclosed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US disclosed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 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 (3 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-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRO ALDH1A1 3669/4885GRIN2C 1305/4885KMT2A 3317/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA ALDH1A1 3737/4885GRIN2C 1348/4885KMT2A 3329/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 ALDH1A1 2235/4885GRIN2C 971/4885KMT2A 3051/4885

“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.