SCHEMBL14487559

SCHEMBL14487559

O=C(O)Cn1c(C(F)(F)F)nc2ccc(OC(F)(F)F)cc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
APEX1 P27695 1/20 0.47
MAPT P10636 1/20 0.47
CYP3A4 P08684 1/20 0.44
ACSS2 Q9NR19 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL20299599 0.88 ACSS2 (0.53) CYP2C9CYP2C19CYP1A2CYP2D6ALDH1A1
SCHEMBL21864867 0.78 MTNR1A (0.50) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL4886070 0.77 CYP2C9 (0.77) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL9335274 0.77 PTGDR2 (0.43) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL3783286 0.75 MAPK8 (0.49)
SCHEMBL14487246 0.75 CYP2C9 (0.48) CYP2C9CYP2C19CYP1A2CYP2D6LMNA
SCHEMBL15730236 0.74 PPARG (0.45) CYP2C9CYP1A2LMNAALDH1A1CYP3A4
SCHEMBL3381530 0.74 BRD4 (0.45) ALDH1A1
SCHEMBL3410099 0.72 BRD4 (0.41)
SCHEMBL3783653 0.72 MAPK8 (0.50)

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
EP-2729448-A1 COMPOUNDS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2014-05-14 EP disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO 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 (6 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CYP2C9 787/4885CYP2C19 386/4885CYP1A2 489/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CYP2C9 787/4885CYP2C19 386/4885CYP1A2 489/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CYP2C9 787/4885CYP2C19 386/4885CYP1A2 489/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2C9 787/4885CYP2C19 386/4885CYP1A2 489/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2C9 787/4885CYP2C19 386/4885CYP1A2 489/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP2C9 787/4885CYP2C19 386/4885CYP1A2 489/4885

“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.