SCHEMBL7119946

SCHEMBL7119946

CC(=O)NC(Cc1ccccc1)C(=O)NCC1Cc2c(sc(NC(=O)C(=O)O)c2C(=O)O)CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
PTPN2 P17706 5/20 0.41
RAB7A P51149 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPRC P08575 1/20 0.39
PTPRB P23467 1/20 0.39
PTPRE P23469 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PSMB8 P28062 2/20 0.38
PTPRA P18433 1/20 0.38

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
SCHEMBL6396539 0.85 CTSS (0.39) CTSSCTSKRAB7AALDH1A1MAPT
SCHEMBL6323854 0.84 PTPN1 (0.44) PTPN1PTPN2RAB7AALDH1A1MAPT
SCHEMBL7130520 0.84 PTPN1 (0.40) PTPN1PTPN2RAB7APTPRCPTPRB
SCHEMBL6323792 0.83 PTPN1 (0.43) PTPN1PTPN2RAB7AALDH1A1MAPT
SCHEMBL6316036 0.82 PTPN1 (0.47) PTPN1PTPN2RAB7AALDH1A1MAPT
SCHEMBL6318310 0.82 ALDH1A1 (0.44) PTPN1PTPN2RAB7AALDH1A1MAPT
SCHEMBL6316165 0.80 PTPN1 (0.48) PTPN1PTPN2RAB7AALDH1A1MAPT
SCHEMBL6316713 0.79 RAB7A (0.45) PTPN1PTPN2RAB7AALDH1A1MAPT
SCHEMBL6315441 0.79 ALDH1A1 (0.53) PTPN1PTPN2RAB7AALDH1A1MAPT
SCHEMBL6315837 0.78 MAPT (0.53) PTPN1PTPN2RAB7AALDH1A1MAPT

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 4 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-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

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 PTPN1 7/4885CTSS 1792/4885CTSK 2172/4885

“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.