SCHEMBL2998592

SCHEMBL2998592

CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 1.00
ALDH1A1 P00352 10/20 1.00
HSD17B10 Q99714 8/20 1.00
HPGD P15428 5/20 1.00
TSHR P16473 3/20 1.00
ALOX15 P16050 1/20 0.87
LMNA P02545 3/20 0.73
POLB P06746 1/20 0.73
AGTR1 P30556 1/20 0.73
GAA P10253 4/20 0.69
CASP1 P29466 2/20 0.69
CASP7 P55210 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
TP53 P04637 1/20 0.69
GLA P06280 1/20 0.69
MAPT P10636 1/20 0.69
FFAR3 O14843 1/20 0.65
PKM P14618 2/20 0.64
HTT P42858 2/20 0.59

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
SCHEMBL3326098 0.89 KDM4E (0.80) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3320570 0.86 KDM4E (0.75) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3324020 0.86 KDM4E (0.78) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL7380520 0.83 KDM4E (0.71) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3005577 0.81 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL13304690 0.81 KDM4E (0.74) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1666306 0.81 ALDH1A1 (0.74) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3249662 0.80 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3324742 0.80 KDM4E (0.66) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3242208 0.79 FFAR3 (0.70) KDM4EALDH1A1HSD17B10HPGDTSHR

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-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
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

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 1088/4885ALDH1A1 274/4885HSD17B10 537/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885ALDH1A1 274/4885HSD17B10 537/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885ALDH1A1 274/4885HSD17B10 537/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R KDM4E 1088/4885ALDH1A1 274/4885HSD17B10 537/4885

“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.