SCHEMBL3008977

SCHEMBL3008977

CCCC1=C(C(=O)OCC)C(c2ccsc2)C2=C(CC(c3ccco3)CC2=O)N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.55
HSD17B10 Q99714 6/20 0.55
POLB P06746 6/20 0.55
CASP1 P29466 4/20 0.55
CASP7 P55210 4/20 0.55
ALDH1A1 P00352 10/20 0.53
HPGD P15428 5/20 0.53
LMNA P02545 3/20 0.53
ADORA2B P29275 6/20 0.51
ADORA2A P29274 1/20 0.51
USP2 O75604 3/20 0.49
TSHR P16473 2/20 0.49
AGTR1 P30556 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL3244269 0.81 KDM4E (0.55) KDM4EHSD17B10POLBCASP1CASP7
SCHEMBL3003468 0.79 KDM4E (0.79) KDM4EHSD17B10POLBCASP1CASP7
SCHEMBL3250423 0.79 KDM4E (0.79) KDM4EHSD17B10POLBCASP1CASP7
SCHEMBL13096488 0.77 KDM4E (0.69) KDM4EHSD17B10POLBCASP1CASP7
SCHEMBL3005640 0.73 KDM4E (0.59) KDM4EHSD17B10POLBCASP1CASP7
SCHEMBL12932107 0.70 KDM4E (0.60) KDM4EHSD17B10POLBCASP1CASP7
SCHEMBL13521836 0.70 KDM4E (0.66) KDM4EHSD17B10POLBCASP1CASP7
SCHEMBL5338078 0.68 KDM4E (0.56) KDM4EHSD17B10POLBCASP1CASP7
SCHEMBL5334804 0.68 KDM4E (0.74) KDM4EHSD17B10POLBCASP1CASP7
SCHEMBL3005577 0.68 KDM4E (1.00) KDM4EHSD17B10POLBCASP1CASP7

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 KDM4E 1088/4885HSD17B10 537/4885POLB 3337/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885HSD17B10 537/4885POLB 3337/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885HSD17B10 537/4885POLB 3337/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885HSD17B10 537/4885POLB 3337/4885

“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.