SCHEMBL629289

SCHEMBL629289

O=C(O)CCCc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.59
CYP1A2 P05177 2/20 0.46
PTPN2 P17706 7/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE2A O00408 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
NAAA Q02083 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
SCHEMBL629293 0.97 PTPN1 (0.58) PTPN1CYP1A2PTPN2CYP2D6CYP2C19
SCHEMBL629955 0.88 PTPN1 (0.60) PTPN1CYP1A2PTPN2
SCHEMBL629288 0.88 PTPN1 (0.63) PTPN1PTPN2PDE3BPDE3AP2RY12
SCHEMBL629812 0.88 PTPN1 (0.60) PTPN1CYP1A2PTPN2NAAA
SCHEMBL629274 0.86 PTPN1 (0.60) PTPN1PTPN2PDE3BPDE3AP2RY12
SCHEMBL630202 0.86 PTPN1 (0.63) PTPN1PTPN2
SCHEMBL629924 0.85 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL630217 0.85 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL629875 0.85 PTPN1 (0.67) PTPN1PTPN2
SCHEMBL3214712 0.85 PTPN1 (0.49) PTPN1CYP1A2PTPN2PDE2APDE3B

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
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP claimed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US claimed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US claimed
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed
US-7700633-B2 Organic compounds NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080262050-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-23 US disclosed
EP-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 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-20080262050-A1 Organic Compounds PTPRS, PTPRO, PTPRC PTPN1 23/4885CYP1A2 2667/4885PTPN2 8/4885

“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.