SCHEMBL3475853

SCHEMBL3475853

CCOC(=O)c1nc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2n(Cc2ccc(OC)cc2OC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
EDNRB P24530 3/20 0.41
CTSA P10619 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.39
ELANE P08246 2/20 0.39
NPC1 O15118 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SERPINE1 P05121 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MCHR1 Q99705 1/20 0.38
HPSE Q9Y251 1/20 0.38
PPARD Q03181 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3346238 0.91 KDM4E (0.42) EDNRBTDP1SERPINE1HPSEKDM4E
SCHEMBL3345982 0.88 PPARD (0.42) CTSAALDH1A1MAPTELANEPPARD
SCHEMBL3350689 0.80 ELANE (0.43) EDNRBPOLBALDH1A1TDP1MAPT
SCHEMBL3352916 0.75 ELANE (0.45) POLBELANERXFP1
SCHEMBL3347817 0.68 ELANE (0.45) CTSAMAPTELANE
SCHEMBL3377158 0.65 SMN1; SMN2 (0.47) POLBALDH1A1MCHR1KDM4E
SCHEMBL22121302 0.65 ALDH1A1 (0.52) POLBALDH1A1MAPTNPC1NLRP3
SCHEMBL22979966 0.65 KMT2A (0.51) POLBALDH1A1MAPTNPC1KDM4E
SCHEMBL3346475 0.65 ACACB (0.41) POLBALDH1A1ELANE
SCHEMBL3381530 0.64 BRD4 (0.45) ALDH1A1KDM4E

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-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SIRT2 286/4885EDNRB 126/4885CTSA 4211/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SIRT2 286/4885EDNRB 126/4885CTSA 4211/4885

“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.