SCHEMBL20634741

SCHEMBL20634741

CCS(=O)(=O)c1ccc([C@H](COC)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.44
MMP13 P45452 2/20 0.43
CA2 P00918 6/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
AGTR1 P30556 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 3/20 0.39

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
SCHEMBL29287122 1.00 RORC (0.44) RORCMMP13CA2CA1CA9
SCHEMBL17722791 0.89 MMP13 (0.43) RORCMMP13CA2CA1CA9
SCHEMBL23631965 0.88 MMP13 (0.42) RORCMMP13CA2CA1CA9
SCHEMBL23631963 0.88 MMP13 (0.42) RORCMMP13CA2CA1CA9
SCHEMBL28619571 0.87 RORC (0.45) RORCMMP13CA2CA1CA9
SCHEMBL17722792 0.87 RORC (0.45) RORCMMP13CA2CA1CA9
SCHEMBL17711643 0.86 ALDH1A1 (0.43) RORCMMP13CA2CA1CA9
SCHEMBL17711642 0.86 ALDH1A1 (0.43) RORCMMP13CA2CA1CA9
SCHEMBL23632043 0.86 CA2 (0.45) RORCMMP13CA2CA1CA9
SCHEMBL30075142 0.85 RORC (0.42) RORCMMP13CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650448-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-05-13 EP disclosed
US-20200131123-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-04-30 US disclosed
CN-109952298-A Indole carboxamides analog derivative, preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2019-06-28 CN disclosed
WO-2019007382-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2019-01-10 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 (1 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-20200131123-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE TPH1, TPH2, PAH RORC 2084/4885MMP13 2701/4885CA2 1484/4885

“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.