SCHEMBL21156715

SCHEMBL21156715

CC(S)NC(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.34
POLB P06746 2/20 0.34
CNR2 P34972 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ACE P12821 1/20 0.30
CYP1A2 P05177 1/20 0.30
PKM P14618 1/20 0.30
PTK2B Q14289 1/20 0.30
ASAH1 Q13510 1/20 0.30

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
SCHEMBL23188095 0.80 ACACB (0.34) POLB
SCHEMBL25480517 0.80 POLB (0.31) POLB
SCHEMBL23188094 0.80 POLB (0.31) POLB
SCHEMBL20364044 0.78 NPSR1 (0.39) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL152945 0.78 SIGMAR1 (0.40) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL24687767 0.77 CA2 (0.42) POLBALDH1A1
SCHEMBL13820185 0.77 NPSR1 (0.36) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL2321287 0.76 NPSR1 (0.38) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL16643942 0.76 CYP2C9 (0.45) NPSR1L3MBTL1GAAPOLBCNR2
SCHEMBL16643953 0.76 CYP2C9 (0.45) NPSR1L3MBTL1GAAPOLBCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors Nanjing Immunophage Biotech Co., Ltd. (CN) 2023-02-09 US disclosed
US-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis ARRIEN PHARMACEUTICALS LLC (US) 2020-06-16 US disclosed
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS ARRIEN PHARMACEUTICALS LLC (US) 2019-07-11 US 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 (3 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-10682358-B2 Substituted 2, 3-dihydro-1H-inden-1-one retinoic acid-related orphan nuclear receptor antagonists for treating multiple sclerosis RORA, RORB, RORC NPSR1 257/4885L3MBTL1 1527/4885GAA 2714/4885
US-20230038589-A1 Methods and compositions for targeting Tregs using CCR8 inhibitors CCR8, CCR1, CCR3 NPSR1 2235/4885L3MBTL1 4338/4885GAA 3646/4885
US-20190209574-A1 SUBSTITUTED 2, 3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS RORA, RORB, RORC NPSR1 257/4885L3MBTL1 1527/4885GAA 2714/4885

“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.