Sugi Predict

Sugi Predict / Compounds / SCHEMBL15468950

SCHEMBL15468950

SCHEMBL15468950

CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C3CC3)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ PSIP1 O75475 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HCRTR1 O43613 3/20 0.33
▸ HCRTR2 O43614 3/20 0.33
▸ PSD A5PKW4 2/20 0.32
▸ RAB9A P51151 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ UBE2M P61081 1/20 0.30
▸ DCUN1D1 Q96GG9 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ ACACB O00763 1/20 0.30
▸ FABP4 P15090 1/20 0.30

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
SCHEMBL13826236 0.93 CYP3A4 (0.47) CYP3A4PSIP1TP53MAPTPOLB
SCHEMBL15468858 0.87 CYP3A4 (0.40) CYP3A4PSIP1POLBHCRTR1HCRTR2
SCHEMBL15468875 0.84 CYP3A4 (0.37) CYP3A4PSIP1HCRTR1HCRTR2P2RX3
SCHEMBL15468878 0.83 CYP3A4 (0.38) CYP3A4PSIP1MAPTRAB9ANPC1
SCHEMBL15468970 0.83 CYP3A4 (0.38) CYP3A4PSIP1MAPTRAB9ANPC1
SCHEMBL15182556 0.83 PSIP1 (0.41) CYP3A4PSIP1MAPTPOLBPSD
SCHEMBL15468844 0.82 CYP3A4 (0.37) CYP3A4PSIP1RAB9ANPC1KDM4E
SCHEMBL15342158 0.81 CYP3A4 (0.37) CYP3A4PSIP1MAPTPOLBRAB9A
SCHEMBL15468860 0.81 CYP3A4 (0.35) CYP3A4PSIP1
SCHEMBL15342068 0.81 CNR1 (0.35) CYP3A4PSIP1

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-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 — — US disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 — — US disclosed
US-9464096-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2016-10-11 — — US disclosed
US-20160024104-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-28 — — US disclosed
US-9006229-B2 Benzothiazole compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2015-04-14 — — US disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 — — 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 (3 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-20170088554-A1 THERAPEUTIC COMPOUNDS FURIN, NFATC1, NPC1 CYP3A4 3708/4885PSIP1 2398/4885TP53 3207/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 CYP3A4 940/4885PSIP1 1964/4885TP53 3176/4885
US-20160024104-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, NPC1 CYP3A4 3726/4885PSIP1 2455/4885TP53 3181/4885

“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.