SCHEMBL1277409

SCHEMBL1277409

C/C(=C\c1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1-c1ccc(O)cc1)C(=O)NC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 8/20 0.35
CA2 P00918 8/20 0.35
CA9 Q16790 7/20 0.35
F10 P00742 2/20 0.35
CA4 P22748 2/20 0.35
PRSS1 P07477 1/20 0.35
MAPK14 Q16539 1/20 0.35
SOS1 Q07889 4/20 0.35
CA12 O43570 6/20 0.34
HDAC8 Q9BY41 2/20 0.34
CA7 P43166 1/20 0.34
CHEK2 O96017 2/20 0.33
CA14 Q9ULX7 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
SCHEMBL1277331 0.92 HDAC8 (0.38) ALDH1A1HDAC8CHEK2
SCHEMBL1277449 0.90 CA1 (0.35) ALDH1A1HTTCA1CA2CA9
SCHEMBL12709334 0.86 ALDH1A1 (0.36) ALDH1A1HTTCA1CA2CA9
SCHEMBL1277638 0.84 HDAC8 (0.45) HDAC8
SCHEMBL1277392 0.80 HSD17B1 (0.36) F10HDAC8
SCHEMBL7018333 0.79 CA2 (0.48) ALDH1A1HTTCA1CA2CA9
SCHEMBL7018329 0.79 CA2 (0.48) ALDH1A1HTTCA1CA2CA9
SCHEMBL1277249 0.79 F10 (0.36) F10PRSS1
SCHEMBL1277438 0.78 SLC9A3 (0.40) ALDH1A1F10
SCHEMBL1277265 0.78 DHODH (0.39) CA1CA2F10CA4CA7

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
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 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-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 ALDH1A1 1459/4885HTT 1051/4885CA1 3641/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 ALDH1A1 1459/4885HTT 1051/4885CA1 3641/4885

“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.