SCHEMBL6503019

SCHEMBL6503019

CCCCCc1cc(O)c(C(=O)OC)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.50
CYP3A4 P08684 2/20 0.50
PPARA Q07869 1/20 0.49
GPR84 Q9NQS5 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PTGES O14684 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
KAT8 Q9H7Z6 2/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL28648622 0.83 CYP3A4 (0.49) CYP3A4HPGDPTGESACHE
SCHEMBL4093987 0.81 PPARA (0.61) PTGS2CYP3A4PPARAGPR84NPC1
SCHEMBL11109182 0.81 PTGS2 (0.55) PTGS2CYP3A4PPARAGPR84NPC1
SCHEMBL11316808 0.80 CNR2 (0.54) PTGS2PPARAPTGESKAT8
SCHEMBL2762730 0.80 PTGES (0.67) PTGS2CYP3A4HTTPTGESACHE
SCHEMBL29683894 0.80 PTGES (0.67) PTGS2CYP3A4HTTPTGESACHE
SCHEMBL11103507 0.79 PTGS2 (0.56) PTGS2CYP3A4PPARAGPR84NPC1
SCHEMBL10880566 0.79 PPARA (0.64) PTGS2CYP3A4PPARAGPR84NPC1
SCHEMBL31586510 0.78 PPARA (0.71) PPARACA1CA2CA9CA12
SCHEMBL20503308 0.78 PPARA (0.71) PPARACA1CA2CA9CA12

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-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 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 (2 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-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D PTGS2 4451/4885CYP3A4 4363/4885PPARA 4103/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D PTGS2 4451/4885CYP3A4 4363/4885PPARA 4103/4885

“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.