SCHEMBL29488705

SCHEMBL29488705

CCS(=O)(=O)c1ccc(CNC(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.71
CA2 P00918 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HDAC1 Q13547 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC3 O15379 1/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
TSHR P16473 1/20 0.61
RECQL P46063 1/20 0.61
CA1 P00915 2/20 0.60
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
TP53 P04637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL28353018 0.90 RORC (0.66) RORCCA2ALDH1A1KDM4EPOLB
SCHEMBL28352943 0.88 RORC (0.61) RORCCA2ALDH1A1HDAC6POLB
SCHEMBL30531889 0.88 RORC (0.61) RORCCA2ALDH1A1HDAC6POLB
SCHEMBL28909371 0.87 RORC (0.62) RORCCA2ALDH1A1CA1
SCHEMBL933464 0.86 ALDH1A1 (0.72) RORCCA2ALDH1A1HDAC1HDAC6
SCHEMBL28266788 0.86 RORC (0.83) RORCCA2ALDH1A1KDM4EPOLB
SCHEMBL23632292 0.85 CA1 (0.72) RORCCA2ALDH1A1KDM4EPOLB
SCHEMBL28349854 0.85 CA2 (0.64) RORCCA2ALDH1A1CA1
SCHEMBL23632544 0.85 RORC (0.61) RORCCA2ALDH1A1CA1
SCHEMBL28266759 0.85 RORC (0.61) RORCCA2ALDH1A1CA1

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
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
CN-114230523-A Benzimidazole derivatives as modulators of ROR-gamma 生命医药有限责任公司 2022-03-25 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 RORC 1/4885CA2 2516/4885ALDH1A1 1330/4885

“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.