SCHEMBL17453068

SCHEMBL17453068

CC(C)c1ccc2c(c1)CS(=O)(=O)N2C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 2/20 0.48
BMPR1A P36894 2/20 0.48
TGFBR1 P36897 2/20 0.48
ACVRL1 P37023 2/20 0.48
ACVR1 Q04771 2/20 0.48
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
CDK8 P49336 10/20 0.38
CCNC P24863 8/20 0.38
ALDH1A1 P00352 1/20 0.38
NR1H3 Q13133 1/20 0.36
CDK19 Q9BWU1 9/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL23612415 0.79 BMPR1B (0.52) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL16421341 0.79 BMPR1B (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4491384 0.77 BMPR1B (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20525233 0.77 POLB (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL23612468 0.74 CYP11B1 (0.52) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL16621298 0.73 ALDH1A1 (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL23589290 0.73 QDPR (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL6594993 0.73 LMNA (0.48) ALDH1A1
SCHEMBL3319807 0.72 DRD4 (0.42) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL7919701 0.71 HTR2A (0.43) PDK1PDK2PDK3PDK4ALDH1A1

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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 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 (2 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB BMPR1B 1863/4885BMPR1A 869/4885TGFBR1 383/4885
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS CDK8, CDK9, CDK18 BMPR1B 3298/4885BMPR1A 3439/4885TGFBR1 4643/4885

“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.