SCHEMBL3473822

SCHEMBL3473822

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SLC13A5 Q86YT5 1/20 0.41
DHODH Q02127 1/20 0.40
SERPINE1 P05121 1/20 0.40

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
SCHEMBL3410099 0.91 BRD4 (0.41)
SCHEMBL3435117 0.91 FFAR1 (0.46) FFAR1FFAR4SLC13A5DHODHSERPINE1
SCHEMBL3473476 0.90 ALDH1A1 (0.41) FFAR1FFAR4DHODHSERPINE1
SCHEMBL3473519 0.89 FFAR1 (0.44) FFAR1FFAR4SLC13A5DHODHSERPINE1
SCHEMBL3476245 0.88 KDM4E (0.42)
SCHEMBL3376765 0.87 TRPC5 (0.46) DHODH
SCHEMBL3377379 0.85 BRD4 (0.48)
SCHEMBL3415925 0.84 CHEK2 (0.44)
SCHEMBL3473464 0.83 SCD (0.51)
SCHEMBL3377951 0.83 MAPK14 (0.45) DHODH

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 363/4885SLC13A5 603/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 FFAR1 283/4885FFAR4 363/4885SLC13A5 603/4885

“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.