SCHEMBL6315982

SCHEMBL6315982

CN(C)c1ccc(C(=O)NCC2Cc3c(sc(NC(=O)C(=O)O)c3C(=O)O)CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.49
RAB7A P51149 2/20 0.46
PTPN1 P18031 7/20 0.42
PTPRC P08575 2/20 0.42
PTPN2 P17706 2/20 0.42
PTPRB P23467 2/20 0.42
PTPRE P23469 2/20 0.42
PTPN6 P29350 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6321243 0.91 ALDH1A1 (0.53) SMN1; SMN2KMT2AHPGDNPC1RAB7A
SCHEMBL6206528 0.89 RAB7A (0.55) SMN1; SMN2KMT2AHPGDNPC1RAB7A
SCHEMBL6317344 0.88 PTPN1 (0.41) SMN1; SMN2HPGDNPC1RAB7APTPN1
SCHEMBL6315826 0.88 RAB7A (0.46) SMN1; SMN2KMT2AHPGDNPC1RAB7A
SCHEMBL6317331 0.86 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AHPGDNPC1RAB7A
SCHEMBL6315632 0.85 RAB7A (0.47) SMN1; SMN2KMT2AHPGDNPC1RAB7A
SCHEMBL6315228 0.84 PTPN1 (0.43) SMN1; SMN2KMT2AHPGDNPC1RAB7A
SCHEMBL6316963 0.83 PTPN1 (0.47) SMN1; SMN2KMT2AHPGDNPC1RAB7A
SCHEMBL6315022 0.83 RAB7A (0.51) SMN1; SMN2KMT2AHPGDNPC1RAB7A
SCHEMBL6205718 0.82 KMT2A (0.49) SMN1; SMN2KMT2AHPGDRAB7APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US claimed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US claimed
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-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 (1 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA SMN1; SMN2 1576/4885KMT2A 3329/4885HPGD 2593/4885

“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.