SCHEMBL15723751

SCHEMBL15723751

CC1CCc2c(C(F)(F)F)nn(C(C)C)c2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 5/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
GRIA2 P42262 8/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 3/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL15723697 0.86 CYP1A2 (0.33) CYP1A2CYP2C19LMNATP53
SCHEMBL18854111 0.84 LMNA (0.34) CYP1A2CYP2C19LMNAGAAALDH1A1
SCHEMBL18328205 0.81 CYP1A2 (0.41) CYP1A2CYP2C19LMNATP53GAA
SCHEMBL15723784 0.77 HTR2A (0.31)
SCHEMBL15724392 0.76 LMNA (0.45) CYP1A2CYP2C19LMNATP53GAA
SCHEMBL14375489 0.76 LMNA (0.49) CYP1A2CYP2C19LMNAGAAALDH1A1
SCHEMBL14555480 0.75 LMNA (0.31) CYP1A2LMNAGAAGRIA2CYP2C9
SCHEMBL14555334 0.75 PTGS2 (0.33) CYP1A2LMNAGAAGRIA2CYP2C9
SCHEMBL20725338 0.74 LMNA (0.50) CYP1A2CYP2C19LMNAGAAALDH1A1
SCHEMBL15723804 0.74 LMNA (0.50) CYP1A2CYP2C19LMNAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202353-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2019-02-12 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
US-20160368881-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-12-22 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (5 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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CYP1A2 489/4885CYP2C19 386/4885LMNA 3182/4885
US-20160368881-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CYP1A2 782/4885CYP2C19 391/4885LMNA 3258/4885
US-10202353-B2 Therapeutic compounds RPL35, SARS1, HAVCR2 CYP1A2 903/4885CYP2C19 575/4885LMNA 3179/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP1A2 489/4885CYP2C19 386/4885LMNA 3182/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CYP1A2 489/4885CYP2C19 386/4885LMNA 3182/4885

“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.