SCHEMBL20030828

SCHEMBL20030828

CCOC(=O)[C@@H](OC1CC1)c1c(C)cc2nc(-c3ccc4c(c3)c(N3CCN(C)CC3)nn4C)sc2c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK10 P53779 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
ENPP2 Q13822 2/20 0.31
HDAC3 O15379 1/20 0.31
MTOR P42345 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
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
SCHEMBL31114867 1.00 BRD4 (0.34) BRD4KDM4EHPGDHSD17B10TP53
SCHEMBL20030831 0.93 BRD4 (0.33) BRD4HRH4MAPTHDAC3MTOR
SCHEMBL20101335 0.87 PTGER1 (0.31) TP53MAPTENPP2
SCHEMBL31114862 0.85 TACR1 (0.32) KDM4EHPGDHSD17B10TP53
SCHEMBL20101204 0.85 TACR1 (0.32) KDM4EHPGDHSD17B10TP53
SCHEMBL31114851 0.85 MAPT (0.32) KDM4EHPGDHSD17B10TP53MEN1
SCHEMBL20030998 0.85 MAPT (0.32) KDM4EHPGDHSD17B10TP53MEN1
SCHEMBL15332316 0.84 CYP3A4 (0.38) BRD4MAPTHDAC3MTORHDAC1
SCHEMBL15342066 0.84 BRD4 (0.35) BRD4MEN1KMT2AMAPTHDAC3
SCHEMBL20030665 0.84 NPSR1 (0.33) KDM4EHPGDHSD17B10TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078991-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-10800772-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2020-10-13 US disclosed
US-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 US disclosed
US-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 US disclosed
WO-2018064080-A1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION GILEAD SCIENCES, INC. (US) 2018-04-05 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 (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-10800772-B2 Therapeutic compounds NQO1, HAVCR2, CCR5 BRD4 1818/4885KDM4E 4115/4885HPGD 592/4885
US-20210078991-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1818/4885KDM4E 4115/4885HPGD 592/4885
US-20180118734-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1818/4885KDM4E 4115/4885HPGD 592/4885

“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.