SCHEMBL17199049

SCHEMBL17199049

CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 15/20 0.59
HDAC6 Q9UBN7 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TSHR P16473 1/20 0.48
F2R P25116 1/20 0.45
CNR2 P34972 1/20 0.44

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
SCHEMBL18523460 0.95 PTGES (0.55) PTGESHDAC6CA1CA2CA7
SCHEMBL16671026 0.88 PTGES (0.59) PTGESHDAC6CA1CA2CA7
SCHEMBL1671704 0.88 PTGES (0.59) PTGESHDAC6CA1CA2CA7
SCHEMBL10046412 0.87 PTGES (0.58) PTGESHDAC6CA1CA2CA7
SCHEMBL18470529 0.86 PTGES (0.47) PTGESTSHRCNR2
SCHEMBL9932144 0.86 PTGES (0.57) PTGESHDAC6CA1CA2CA7
SCHEMBL18477449 0.86 PTGES (0.57) PTGESHDAC6CA1CA2CA7
SCHEMBL20551176 0.85 PTGES (0.56) PTGESHDAC6CA1CA2CA7
SCHEMBL18810196 0.85 PTGES (0.56) PTGESHDAC6CA1CA2CA7
SCHEMBL17199047 0.84 PTGES (0.58) PTGESHDAC6CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133068-B1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2020-11-25 EP disclosed
EP-3133068-B1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2020-11-25 EP disclosed
CN-105523996-B Amide derivatives, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2020-03-06 CN disclosed
US-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-09-25 US disclosed
EP-3133068-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2017-02-22 EP disclosed
EP-3133068-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2017-02-22 EP disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
CN-105636951-A Amide derivatives and pharmaceutically acceptable salts thereof, preparation method and medical application thereof Shanghai hengrui pharmaceutical co ltd 2016-06-01 CN disclosed
WO-2015158204-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF 上海恒瑞医药有限公司 2015-10-22 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 (2 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-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof PTGES, PTGS1, PTGIS PTGES 1/4885HDAC6 1366/4885CA1 3222/4885
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS PTGES 1/4885HDAC6 1366/4885CA1 3222/4885

“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.