Sugi Predict

Sugi Predict / Compounds / SCHEMBL15340989

SCHEMBL15340989

SCHEMBL15340989

CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnc(N5CCN(C)CC5)nc4)c3)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 4/20 0.34
▸ CYP1A2 P05177 4/20 0.34
▸ CASP1 P29466 4/20 0.34
▸ CASP7 P55210 4/20 0.34
▸ HIF1A Q16665 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GLA P06280 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ FFAR2 O15552 1/20 0.32
▸ DYRK1A Q13627 6/20 0.32
▸ WNT1 P04628 4/20 0.32
▸ GSK3B P49841 4/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ MELK Q14680 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ FURIN P09958 2/20 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
SCHEMBL15341102 0.95 CYP3A4 (0.35) USP2CYP1A2CASP1CASP7HIF1A
SCHEMBL15340992 0.93 ACVR1B (0.36) CYP3A4BRD4DYRK1AWNT1GSK3B
SCHEMBL15340997 0.93 ALDH1A1 (0.34) CYP1A2CASP1CASP7HIF1AALDH1A1
SCHEMBL15342031 0.90 DYRK1A (0.39) CYP3A4BRD4DYRK1AWNT1GSK3B
SCHEMBL15342148 0.88 BRD4 (0.36) USP2CYP1A2CASP1CASP7HIF1A
SCHEMBL15340988 0.88 CYP3A4 (0.33) CYP3A4
SCHEMBL15341109 0.88 ACVR1B (0.36) CYP3A4DYRK1AWNT1GSK3BCLK2
SCHEMBL19906082 0.88 ACVR1B (0.36) CYP3A4DYRK1AWNT1GSK3BCLK2
SCHEMBL15341100 0.87 CYP3A4 (0.37) CYP1A2CASP1CASP7HIF1AALDH1A1
SCHEMBL15341001 0.87 CSF1R (0.34) CYP3A4CYP2C9

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-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 — — US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 — — US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 — — US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 — — US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 — — US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 — — US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 — — 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 USP2 4709/4885CYP1A2 807/4885CASP1 889/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 USP2 4870/4885CYP1A2 2022/4885CASP1 1109/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 USP2 4709/4885CYP1A2 807/4885CASP1 889/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 USP2 4709/4885CYP1A2 807/4885CASP1 889/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 USP2 4870/4885CYP1A2 2022/4885CASP1 1109/4885

“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.