SCHEMBL2852452

SCHEMBL2852452

C=CC(N)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.52
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
SRD5A2 P31213 3/20 0.43
ALDH1A1 P00352 3/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA3 P07451 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
ENPEP Q07075 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL27754848 0.86 LMNA (0.39) ANPEPSRD5A2ALDH1A1SMN1; SMN2
SCHEMBL7076318 0.80 ANPEP (0.40) ANPEPTSHRTP53ALDH1A1CA1
SCHEMBL6291617 0.80 ADRB2 (0.31)
SCHEMBL10900089 0.79 TSHR (0.52) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL11877213 0.79 TSHR (0.52) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL5133889 0.78 TSHR (0.50) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL3634818 0.77 ANPEP (0.49) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL2593577 0.76 ANPEP (0.61) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL27315463 0.76 ANPEP (0.61) ANPEPTSHRTP53SRD5A2ALDH1A1
SCHEMBL9636818 0.76 TSHR (0.48) ANPEPTSHRTP53SRD5A2ALDH1A1

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 ANPEP 3719/4885TSHR 2805/4885TP53 2389/4885

“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.