SCHEMBL23631886

SCHEMBL23631886

CCS(=O)(=O)c1ccc([C@H](CC#N)NC(=O)c2ccc(-c3csc(Oc4ccc(C(F)(F)F)cc4)n3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 9/20 0.49
▸ PDE2A O00408 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ GCGR P47871 2/20 0.39
▸ GIPR P48546 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KCNQ1 P51787 1/20 0.38
▸ RORA P35398 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MRE11 P49959 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ KDM4B O94953 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL23631889 1.00 RORC (0.49) RORCPDE2AKDM4EGCGRGIPR
SCHEMBL28715136 0.91 RORC (0.51) RORCPDE2AKDM4EGCGRGIPR
SCHEMBL28715139 0.91 RORC (0.51) RORCPDE2AKDM4EGCGRGIPR
SCHEMBL25136874 0.85 RORC (0.45) RORCPDE2AGCGRGIPRMRE11
SCHEMBL23632098 0.83 PDE2A (0.51) RORCPDE2ARORA
SCHEMBL23632100 0.83 PDE2A (0.51) RORCPDE2ARORA
SCHEMBL28699837 0.82 RORC (0.49) RORCKDM4AKDM4BKDM5CKDM5B
SCHEMBL28699794 0.82 RORC (0.55) RORCKDM4ERAB9A
SCHEMBL28699838 0.82 RORC (0.49) RORCKDM4AKDM4BKDM5CKDM5B
SCHEMBL28699796 0.82 RORC (0.55) RORCKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 — — CN disclosed
US-20230121086-A1 RORgT INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2023-04-20 — — US disclosed
CN-114075139-A Five-membered heteroaromatic ring compound and application thereof in medicines 广东东阳光药业有限公司 2022-02-22 — — CN 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
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 RORC 1/4885PDE2A 2355/4885KDM4E 1590/4885

“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.

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