Sugi Predict

Sugi Predict / Compounds / SCHEMBL15340997

SCHEMBL15340997

SCHEMBL15340997

CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnc(N5CCOCC5)nc4)c3)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ PIK3CA P42336 10/20 0.34
▸ PIK3R1 P27986 9/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ FFAR2 O15552 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL15341100 0.95 CYP3A4 (0.37) ALDH1A1CYP1A2CYP3A4CYP2C9CASP1
SCHEMBL15340989 0.93 USP2 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C9CASP1
SCHEMBL15342026 0.90 ADORA2A (0.38) CYP1A2CYP3A4CYP2C9PIK3CAADORA2A
SCHEMBL15342147 0.88 MTOR (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9CASP1
SCHEMBL15340988 0.87 CYP3A4 (0.33) CYP3A4
SCHEMBL15341102 0.87 CYP3A4 (0.35) ALDH1A1CYP1A2CYP3A4CASP1CASP7
SCHEMBL15342207 0.86 EIF4E (0.33) CYP3A4
SCHEMBL15340992 0.86 ACVR1B (0.36) CYP3A4
SCHEMBL15342208 0.85 EIF4E (0.34) ALDH1A1CYP3A4
SCHEMBL15341001 0.85 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-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 — — US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 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 ALDH1A1 355/4885CYP1A2 807/4885CYP3A4 272/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 ALDH1A1 1362/4885CYP1A2 2022/4885CYP3A4 2302/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ALDH1A1 355/4885CYP1A2 807/4885CYP3A4 272/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ALDH1A1 355/4885CYP1A2 807/4885CYP3A4 272/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 ALDH1A1 1362/4885CYP1A2 2022/4885CYP3A4 2302/4885

“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.