SCHEMBL3475274

SCHEMBL3475274

CC(C)(c1ccccc1)c1nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n(CCC(=O)O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MME P08473 1/20 0.39
DHODH Q02127 1/20 0.39
TRPC5 Q9UL62 4/20 0.39
SERPINE1 P05121 1/20 0.39
PPARG P37231 1/20 0.38
MGLL Q99685 1/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
SLC13A5 Q86YT5 1/20 0.38
PIN1 Q13526 1/20 0.38
PDE10A Q9Y233 1/20 0.38
NAMPT P43490 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37
SCD O00767 1/20 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
SCHEMBL3435117 0.91 FFAR1 (0.46) FFAR1FFAR4MMEDHODHTRPC5
SCHEMBL3347869 0.87 FFAR1 (0.47) FFAR1FFAR4MMEDHODHTRPC5
SCHEMBL3473519 0.86 FFAR1 (0.44) FFAR1FFAR4MMEDHODHTRPC5
SCHEMBL3474855 0.83 ALDH1A1 (0.49) FFAR1FFAR4MMEDHODHTRPC5
SCHEMBL3380569 0.83 FFAR4 (0.45) FFAR1FFAR4MMEDHODHTRPC5
SCHEMBL3435928 0.82 GRIN1 (0.40) FFAR1FFAR4PPARGGRIN1GRIN2B
SCHEMBL3473822 0.82 FFAR1 (0.43) FFAR1FFAR4DHODHSERPINE1SLC13A5
SCHEMBL3434891 0.82 FFAR4 (0.44) FFAR1FFAR4PPARGPIN1
SCHEMBL3376765 0.81 TRPC5 (0.46) DHODHTRPC5PPARGGRIN1GRIN2B
SCHEMBL3350638 0.81 PIN1 (0.45) GRIN1GRIN2BPIN1SCD

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 FFAR1 283/4885FFAR4 363/4885MME 1879/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 FFAR1 283/4885FFAR4 363/4885MME 1879/4885

“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.