SCHEMBL6317112

SCHEMBL6317112

CC(=O)Oc1ccccc1C(=O)NCC1Cc2c(sc(NC(=O)C(=O)O)c2C(=O)O)CO1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.44
RAB7A P51149 5/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PTPN2 P17706 4/20 0.40
PTPRC P08575 2/20 0.40
PTPRB P23467 2/20 0.40
PTPRE P23469 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN6 P29350 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
SCHEMBL6316713 0.86 RAB7A (0.45) PTPN1RAB7AMEN1KMT2AMAPT
SCHEMBL7680102 0.85 PTPN1 (0.44) PTPN1RAB7AMEN1KMT2AMAPT
SCHEMBL6317331 0.85 SMN1; SMN2 (0.45) PTPN1RAB7AMEN1KMT2AMAPT
SCHEMBL6206528 0.84 RAB7A (0.55) PTPN1RAB7AMEN1KMT2AMAPT
SCHEMBL6315632 0.80 RAB7A (0.47) PTPN1RAB7AMEN1KMT2AMAPT
SCHEMBL6206947 0.80 MAOB (0.42) PTPN1RAB7AKMT2AMAPTPTPN2
SCHEMBL6314403 0.80 PTPN1 (0.42) PTPN1RAB7AMAPTALDH1A1PTPN2
SCHEMBL5836808 0.80 PTPN1 (0.45) PTPN1RAB7AMEN1KMT2APTPN2
SCHEMBL6318283 0.79 POLB (0.49) PTPN1RAB7AMAPTPTPN2PTPRC
SCHEMBL6317364 0.79 LMNA (0.52) PTPN1RAB7AMEN1KMT2AMAPT

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-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-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 7/4885RAB7A 3644/4885MEN1 3307/4885

“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.