SCHEMBL3004053

SCHEMBL3004053

CC1=C(C(=O)NCc2ccco2)C(c2cccs2)C2=C(CCCC2=O)N1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.66
KDM4E B2RXH2 7/20 0.66
FFAR3 O14843 11/20 0.64
ALDH1A1 P00352 6/20 0.61
HPGD P15428 4/20 0.61
TSHR P16473 2/20 0.61
ALOX15 P16050 1/20 0.59
GAA P10253 2/20 0.58
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3242208 0.85 FFAR3 (0.70) HSD17B10KDM4EFFAR3ALDH1A1HPGD
SCHEMBL2998592 0.77 KDM4E (1.00) HSD17B10KDM4EFFAR3ALDH1A1HPGD
SCHEMBL3324020 0.73 KDM4E (0.78) HSD17B10KDM4EFFAR3ALDH1A1HPGD
SCHEMBL3326098 0.73 KDM4E (0.80) HSD17B10KDM4EFFAR3ALDH1A1HPGD
SCHEMBL7817207 0.71 HSD17B10 (0.65) HSD17B10KDM4EFFAR3ALDH1A1HPGD
SCHEMBL3250425 0.70 FFAR3 (0.70) HSD17B10KDM4EFFAR3ALDH1A1HPGD
SCHEMBL3320570 0.70 KDM4E (0.75) HSD17B10KDM4EFFAR3ALDH1A1HPGD
SCHEMBL5064643 0.70 FFAR3 (1.00) KDM4EFFAR3
SCHEMBL5202041 0.69 FFAR3 (0.76) HSD17B10KDM4EFFAR3ALDH1A1HPGD
SCHEMBL2990862 0.67 KDM4E (0.66) HSD17B10KDM4EFFAR3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US disclosed
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HSD17B10 537/4885KDM4E 1088/4885FFAR3 399/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HSD17B10 537/4885KDM4E 1088/4885FFAR3 399/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HSD17B10 537/4885KDM4E 1088/4885FFAR3 399/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R HSD17B10 537/4885KDM4E 1088/4885FFAR3 399/4885

“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.