SCHEMBL3474561

SCHEMBL3474561

CC(C)(C)c1nc2ccc(-c3cc(C(F)(F)F)ccc3Cl)cc2n(CCC(=O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.41
PDE2A O00408 5/20 0.39
GCGR P47871 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIN1 Q13526 1/20 0.38
SCD O00767 1/20 0.37
P2RX3 P56373 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
SIK1 P57059 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
SIK3 Q9Y2K2 1/20 0.35
CFTR P13569 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL3473451 0.88 KMO (0.43) KMOGCGRPIN1SCDP2RX3
SCHEMBL3472626 0.88 PTGDR2 (0.43) KMOGCGRSCD
SCHEMBL3403522 0.86 SCD (0.42) KMOSCD
SCHEMBL3350638 0.85 PIN1 (0.45) KMOPIN1SCD
SCHEMBL3473761 0.85 S1PR1 (0.41) KMOPIN1SCD
SCHEMBL3476098 0.83 GCGR (0.37) GCGRPIN1SCDP2RX3
SCHEMBL3475323 0.81 SCD (0.41) KMOSCD
SCHEMBL3376265 0.79 GRIN2B (0.41) KMO
SCHEMBL3474846 0.79 PPARG (0.44) KMOP2RX3
SCHEMBL3474113 0.78 EGLN1 (0.41) KMOCYP1A2CYP2D6CYP2C9CYP2C19

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 KMO 1233/4885PDE2A 291/4885GCGR 131/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 KMO 1233/4885PDE2A 291/4885GCGR 131/4885

“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.