SCHEMBL6318611

SCHEMBL6318611

CC(C)(C)NC(=O)NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 1/20 0.44
ALDH1A1 P00352 6/20 0.39
PTPN2 P17706 1/20 0.38
PTPRB P23467 1/20 0.38
PTPN6 P29350 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 3/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6316701 0.85 ALDH1A1 (0.46) GRIN2CALDH1A1PTPN2PTPRBPTPN6
SCHEMBL6311379 0.82 ALDH1A1 (0.42) GRIN2CALDH1A1PTPN2PTPRBPTPN6
SCHEMBL6318495 0.81 ALDH1A1 (0.44) GRIN2CALDH1A1PTPN2PTPRBPTPN6
SCHEMBL6316820 0.80 PPID (0.48) GRIN2CALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6310340 0.80 LMNA (0.49) ALDH1A1PTPN2PTPRBPTPN6MEN1
SCHEMBL6319180 0.80 RAB9A (0.45) ALDH1A1PTPN2PTPRBPTPN6MEN1
SCHEMBL6317640 0.80 GRIN2C (0.41) GRIN2CALDH1A1PTPN2PTPRBPTPN6
SCHEMBL6312363 0.78 SOAT1 (0.46) ALDH1A1
SCHEMBL6320125 0.78 GPR35 (0.49) GRIN2CMEN1KMT2AMAPT
SCHEMBL6316825 0.78 HSD17B10 (0.48) GRIN2CALDH1A1PTPN2PTPRBPTPN6

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-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-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP 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 GRIN2C 1305/4885ALDH1A1 3669/4885PTPN2 8/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA GRIN2C 1348/4885ALDH1A1 3737/4885PTPN2 9/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 GRIN2C 971/4885ALDH1A1 2235/4885PTPN2 11/4885

“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.