SCHEMBL1277388

SCHEMBL1277388

C/C(=C\c1ccc(-c2cc(O)ccc2F)cc1)C(=O)NC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.36
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.32
DHODH Q02127 2/20 0.32
KCNA3 P22001 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
HSD17B1 P14061 1/20 0.32
BACE1 P56817 1/20 0.31
APP P05067 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1277838 0.85 HSD17B1 (0.49) F10KDM4EALDH1A1ESR1DHODH
SCHEMBL1277288 0.84 ALDH1A1 (0.44) F10KDM4EALDH1A1ESR1DHODH
SCHEMBL1277253 0.83 AR (0.42) F10ARKDM4EDHODHHSD17B1
SCHEMBL1277207 0.80 HSD17B1 (0.42) F10DHODHTRPM8HSD17B1CYP3A4
SCHEMBL1277164 0.78 BACE1 (0.38) F10KDM4EALDH1A1ESR1HSD17B1
SCHEMBL1277424 0.78 F10 (0.44) F10ALDH1A1DHODHTRPM8
SCHEMBL1277423 0.78 F10 (0.44) F10ALDH1A1DHODHTRPM8
SCHEMBL1277336 0.77 F10 (0.38) F10KDM4EALDH1A1ESR1CYP3A4
SCHEMBL1277265 0.77 DHODH (0.39) F10ESR1DHODHHSD17B1
SCHEMBL1277330 0.77 PPM1B (0.38) F10KDM4EALDH1A1APP

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
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
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 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 F10 4727/4885AR 4056/4885KDM4E 1554/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 F10 4727/4885AR 4056/4885KDM4E 1554/4885

“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.