SCHEMBL15730347

SCHEMBL15730347

Cc1ccc(C)c2c1NC(=O)C2C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CES1 P23141 1/20 0.36
CREBBP Q92793 2/20 0.35
DAO P14920 1/20 0.34
POLB P06746 2/20 0.32
BRPF1 P55201 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL24112916 0.84 BRD4 (0.35) CREBBPDAOPOLB
SCHEMBL24112630 0.84 CES1 (0.47) CA12CA1CA2CA4CA7
SCHEMBL24112924 0.84 CES1 (0.43) CES1CREBBPPOLBALDH1A1
SCHEMBL24112227 0.84 CES1 (0.36) CA12CA1CA2CA4CA7
SCHEMBL16006747 0.79 CA12 (0.34) CA12CA1CA2CA4CA7
SCHEMBL23501955 0.76 PGR (0.33) CA12CA1CA2CA4CA7
SCHEMBL15730214 0.74 KDM4E (0.43) CA12CA1CA2CA4CA7
SCHEMBL24112725 0.74 ALDH1A1 (0.43) CA12CA1CA2CA4CA7
SCHEMBL24112230 0.74 ALDH1A1 (0.43) CA12CA1CA2CA4CA7
SCHEMBL15994824 0.71 HTT (0.44) POLBTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954679-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS Gilead Sciences, Inc. (US) 2022-02-16 EP disclosed
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 EP disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 EP 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-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 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 (4 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-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CA12 3388/4885CA1 4241/4885CA2 4692/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD CA12 3256/4885CA1 4211/4885CA2 4656/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CA12 3399/4885CA1 4199/4885CA2 3620/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CA12 3399/4885CA1 4199/4885CA2 3620/4885

“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.