SCHEMBL2852457

SCHEMBL2852457

NC=CCc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
CA3 P07451 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA13 Q8N1Q1 1/20 0.45
ANPEP P15144 1/20 0.44
ENPEP Q07075 1/20 0.44
SRD5A2 P31213 4/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL28976969 0.84 ALDH1A1 (0.55) ALDH1A1TP53TSHRCA12CA1
SCHEMBL5805280 0.82 ALDH1A1 (0.52) ALDH1A1TP53TSHRCA12CA1
SCHEMBL9506114 0.82 MAOB (0.62) ALDH1A1TP53TSHRCA1CA2
SCHEMBL5576096 0.82 ALDH1A1 (0.52) ALDH1A1TP53TSHRCA12CA1
SCHEMBL5020596 0.82 MAOB (0.62) ALDH1A1TP53TSHRCA1CA2
SCHEMBL10639379 0.81 NAPRT (0.57) ALDH1A1TP53TSHRCA1CA2
SCHEMBL10639390 0.81 NAPRT (0.57) ALDH1A1TP53TSHRCA1CA2
SCHEMBL845691 0.80 CA2 (0.52) ALDH1A1TSHRCA2ANPEPENPEP
SCHEMBL5576686 0.80 ALDH1A1 (0.50) ALDH1A1TP53TSHRCA12CA1
SCHEMBL8917566 0.80 ALDH1A1 (0.50) ALDH1A1TP53TSHRCA12CA1

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
EP-1906938-B1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS NICOX SA (FR) 2010-10-20 EP disclosed
US-20090203759-A1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS NICOX SA (FR) 2009-08-13 US disclosed
EP-1906938-A2 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS NicOx SA (FR) 2008-04-09 EP disclosed
WO-2007012539-A2 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS NICOX S.A. (FR) 2007-02-01 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-20090203759-A1 PHARMACEUTICAL FORMULATION OF NITROOXYDERIVATIVES OF NSAIDS FASN, PTGS1, NOS2 ALDH1A1 230/4885TP53 2389/4885TSHR 2805/4885

“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.