SCHEMBL4211263

SCHEMBL4211263

O=CC(Nc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 2/20 0.46
CA12 O43570 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
F13A1 P00488 1/20 0.42
LMNA P02545 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
TGM3 Q08188 1/20 0.42
FPR2 P25090 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
S1PR3 Q99500 1/20 0.41
FPR1 P21462 1/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 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
SCHEMBL6242825 0.82 CASP1 (0.45) CA12LMNATGM2MEN1KMT2A
SCHEMBL243227 0.82 CASP1 (0.45) CA12LMNATGM2MEN1KMT2A
SCHEMBL29139680 0.81 NPC1 (0.41) MMP2MMP9MMP8MMP14LMNA
SCHEMBL1140146 0.81 MMP2 (0.46) MMP2MMP9CA12TGM2MEN1
SCHEMBL10713625 0.80 MMP8 (0.50) MMP8MMP14NPC1RAB9ASMN1; SMN2
SCHEMBL4350738 0.77 RAB9A (0.49) MMP2MMP9TGM2MEN1KMT2A
SCHEMBL7823472 0.76 MMP2 (0.52) MMP2MMP9MMP8MMP14CA12
SCHEMBL19358784 0.74 EPHX1 (0.53) MMP8MMP14LMNAFPR2MEN1
SCHEMBL3972557 0.73 FPR2 (0.51) MMP2MMP9MMP8MMP14CA12
SCHEMBL3381061 0.73 FPR2 (0.51) MMP2MMP9MMP8MMP14CA12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539675-B1 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2013-11-06 EP disclosed
US-7482488-B2 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-01-27 US disclosed
EP-1539675-A4 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2007-07-11 EP disclosed
US-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-07-27 US disclosed
EP-1539675-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2005-06-15 EP disclosed
WO-2004037751-A2 ARYL AND HETEROARYL PROPENE AMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2004-05-06 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-20060167317-A1 Aryl and heteroaryl propene amides, derivatives thereof and therapeutic uses thereof BCL2A1, NFE2L2, BCL2 MMP2 1861/4885MMP9 2806/4885MMP8 1853/4885

“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.