SCHEMBL3474855

SCHEMBL3474855

O=C(O)CCn1c(=O)c(C(=O)c2ccccc2)nc2ccc(-c3cccc(OC(F)(F)F)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
PPARG P37231 1/20 0.42
MGLL Q99685 1/20 0.41
MME P08473 1/20 0.41
DHODH Q02127 1/20 0.40
SERPINE1 P05121 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39

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
SCHEMBL3347869 0.86 FFAR1 (0.47) FFAR1FFAR4PPARGMMEDHODH
SCHEMBL3435117 0.84 FFAR1 (0.46) FFAR1FFAR4PPARGMGLLMME
SCHEMBL3380569 0.84 FFAR4 (0.45) FFAR1FFAR4PPARGMMEDHODH
SCHEMBL3475274 0.83 FFAR1 (0.43) FFAR1FFAR4PPARGMGLLMME
SCHEMBL3473519 0.79 FFAR1 (0.44) FFAR1FFAR4PPARGMGLLMME
SCHEMBL3433542 0.78 PPARG (0.46) ALDH1A1CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL3380300 0.77 KDM4E (0.46) ALDH1A1HTTSERPINE1
SCHEMBL3346267 0.76 PPARG (0.49) FFAR1FFAR4PPARGMGLLDHODH
SCHEMBL3435928 0.75 GRIN1 (0.40) FFAR1FFAR4PPARGGRIN1GRIN2B
SCHEMBL3434891 0.75 FFAR4 (0.44) FFAR1FFAR4PPARG

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 ALDH1A1 503/4885CYP2C9 1024/4885CYP2C19 920/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 ALDH1A1 503/4885CYP2C9 1024/4885CYP2C19 920/4885

“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.