SCHEMBL3473451

SCHEMBL3473451

CC(C)(C)c1nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2n(CCC(=O)O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
PIN1 Q13526 2/20 0.39
CFTR P13569 1/20 0.39
SCD O00767 1/20 0.39
BRD4 O60885 1/20 0.38
ALOX5AP P20292 4/20 0.38
NR1H4 Q96RI1 1/20 0.37
P2RX3 P56373 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
GCGR P47871 2/20 0.37

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
SCHEMBL3473761 0.93 S1PR1 (0.41) KMOPIN1SCDBRD4
SCHEMBL3350638 0.91 PIN1 (0.45) KMOPIN1SCDGRIN1GRIN2B
SCHEMBL3474561 0.88 KMO (0.41) KMOPIN1CFTRSCDP2RX3
SCHEMBL3350646 0.87 ALDH1A1 (0.42) PIN1
SCHEMBL3376265 0.87 GRIN2B (0.41) KMOBRD4GRIN1GRIN2B
SCHEMBL3403522 0.86 SCD (0.42) KMOSCDBRD4GRIN1GRIN2B
SCHEMBL3472626 0.86 PTGDR2 (0.43) KMOSCDGCGR
SCHEMBL3346223 0.84 PIN1 (0.46) PIN1
SCHEMBL15147639 0.83 PIN1 (0.43) PIN1GRIN1GRIN2B
SCHEMBL3476237 0.83 PIN1 (0.43) KMOJAK2JAK1TYK2JAK3

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 1233/4885JAK2 441/4885JAK1 3240/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 KMO 1233/4885JAK2 441/4885JAK1 3240/4885

“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.