SCHEMBL23636848

SCHEMBL23636848

CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(N3CCCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
ALDH1A1 P00352 1/20 0.55
RORC P51449 14/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51

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
SCHEMBL28917881 0.86 RORC (0.53) RORCCA1CA2
SCHEMBL23632456 0.83 CA1 (0.55) RORCCA1CA2
SCHEMBL23636783 0.83 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25136482 0.83 ALDH1A1 (0.57) ALDH1A1RORC
SCHEMBL23642220 0.82 HDAC6 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3919573 0.82 HDAC6 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23636997 0.82 RORC (0.50) RORC
SCHEMBL23642093 0.81 HDAC6 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28353018 0.80 RORC (0.66) ALDH1A1RORCCA1CA2KMT2A
SCHEMBL28909371 0.80 RORC (0.62) ALDH1A1RORCCA1CA2EPHX2

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 2 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
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

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 HDAC3 600/4885HDAC4 877/4885HDAC1 766/4885

“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.