SCHEMBL6322191

SCHEMBL6322191

CCC(C(=O)NCC1Cc2c(sc(NC(=O)C(=O)O)c2C(=O)O)CO1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HTT P42858 1/20 0.46
PTPN1 P18031 8/20 0.44
RAB7A P51149 2/20 0.42
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN2 P17706 5/20 0.39
PTPRA P18433 1/20 0.38
PTPRC P08575 1/20 0.38
PTPRB P23467 1/20 0.38
PTPRE P23469 1/20 0.38
KMT2A Q03164 1/20 0.36

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
SCHEMBL7117916 0.92 ALDH1A1 (0.47) ALDH1A1HTTPTPN1RAB7AMAPT
SCHEMBL6318310 0.91 ALDH1A1 (0.44) ALDH1A1HTTPTPN1RAB7AMAPT
SCHEMBL6315441 0.90 ALDH1A1 (0.53) ALDH1A1HTTPTPN1RAB7AMAPT
SCHEMBL7859830 0.86 ALDH1A1 (0.46) ALDH1A1HTTRAB7AMAPTLMNA
SCHEMBL6314409 0.85 PTPN1 (0.43) ALDH1A1HTTPTPN1RAB7AMAPT
SCHEMBL6322997 0.83 TSHR (0.47) ALDH1A1PTPN1RAB7ALMNAPTPN2
SCHEMBL6317483 0.81 ALDH1A1 (0.53) ALDH1A1PTPN1RAB7ALMNAPTPN2
SCHEMBL6207147 0.80 PTPN1 (0.51) PTPN1RAB7APTPN2PTPRAPTPRC
SCHEMBL6315812 0.79 PTPN1 (0.46) ALDH1A1HTTPTPN1RAB7AMAPT
SCHEMBL6206528 0.78 RAB7A (0.55) ALDH1A1PTPN1RAB7AMAPTLMNA

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 5 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-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 ALDH1A1 3737/4885HTT 511/4885PTPN1 7/4885

“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.