SCHEMBL23632292

SCHEMBL23632292

CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.72
CA2 P00918 3/20 0.72
RORC P51449 11/20 0.61
ATM Q13315 1/20 0.56
EPHX2 P34913 3/20 0.56
NR1H4 Q96RI1 2/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL28909371 0.87 RORC (0.62) CA1CA2RORCEPHX2NR1H4
SCHEMBL28353018 0.87 RORC (0.66) CA1CA2RORCEPHX2NR1H4
SCHEMBL21616581 0.86 RORC (0.62) CA1CA2RORCEPHX2NR1H4
SCHEMBL28266759 0.86 RORC (0.61) CA1CA2RORCEPHX2NR1H4
SCHEMBL23632544 0.86 RORC (0.61) CA1CA2RORCEPHX2NR1H4
SCHEMBL28349854 0.86 CA2 (0.64) CA1CA2RORCEPHX2NR1H4
SCHEMBL29488705 0.85 RORC (0.71) CA1CA2RORCKDM4EPOLB
SCHEMBL28533261 0.83 RORC (0.59) CA1CA2RORCEPHX2NR1H4
SCHEMBL28268476 0.83 EPHX2 (0.65) CA1CA2RORCEPHX2NR1H4
SCHEMBL28266766 0.81 RORC (0.57) CA1CA2RORCEPHX2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072476-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-05-14 CN disclosed
CN-112513021-B ROR gamma antagonist and application thereof in medicines 广东东阳光药业有限公司 2023-06-27 CN disclosed
US-20230067159-A1 ROR-GAMMA-T INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-03-02 US disclosed
EP-4089079-A1 ROR GAMMA T INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-11-16 EP disclosed
WO-2021139599-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 WO disclosed
CN-113072476-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed
CN-112513021-A ROR gamma antagonist and application thereof in medicine 广东东阳光药业有限公司 2021-03-16 CN 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-20230067159-A1 ROR-GAMMA-T INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF RORC, RORB, RORA CA1 873/4885CA2 2516/4885RORC 1/4885

“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.