SCHEMBL23631963

SCHEMBL23631963

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.42
CA2 P00918 4/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
RORC P51449 7/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
XBP1 P17861 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL23631965 1.00 MMP13 (0.42) MMP13CA2CA1CA9CA4
SCHEMBL20634741 0.88 RORC (0.44) MMP13CA2CA1CA9CA4
SCHEMBL29287122 0.88 RORC (0.44) MMP13CA2CA1CA9CA4
SCHEMBL17722791 0.87 MMP13 (0.43) MMP13CA2CA1CA9CA4
SCHEMBL3337069 0.85 CTSS (0.43) CA2CA1CA9CA4CA7
SCHEMBL391352 0.85 PPARG (0.42) CA2CA1CA9CA4CA7
SCHEMBL669317 0.85 CTSK (0.49) MMP13CA1CA7ALDH1A1LMNA
SCHEMBL669318 0.85 CTSK (0.49) MMP13CA1CA7ALDH1A1LMNA
SCHEMBL4160654 0.85 CTSK (0.49) MMP13CA1CA7ALDH1A1LMNA
SCHEMBL28619571 0.85 RORC (0.45) MMP13CA2CA1CA9CA4

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
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-04-20 US disclosed
EP-4089080-A1 RORyT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-11-16 EP disclosed
WO-2021139595-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-113072542-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

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-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF RORC, RORB, RORA MMP13 3640/4885CA2 3844/4885CA1 1527/4885

“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.