SCHEMBL23915583

SCHEMBL23915583

CCOC(=O)c1nn(Cc2nc3cc(C#N)c(OCC4CC4)cc3n2COCCS(C)(C)C)c2ccccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
XDH P47989 3/20 0.35
PTGER4 P35408 3/20 0.33
ELANE P08246 2/20 0.33
F2RL3 Q96RI0 1/20 0.31

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
SCHEMBL23915582 0.92 HTT (0.38) S1PR2HTTHSD17B10XDHPTGER4
SCHEMBL23914861 0.86 S1PR2 (0.43) S1PR2XDHPTGER4
SCHEMBL23914772 0.81 S1PR2 (0.38) S1PR2XDH
SCHEMBL23909100 0.79 S1PR2 (0.37) S1PR2XDH
SCHEMBL23914777 0.78 S1PR2 (0.42) S1PR2XDHPTGER4
SCHEMBL23915349 0.78 HSD17B10 (0.36) HTTHSD17B10F2RL3
SCHEMBL23914609 0.78 XDH (0.38) HTTHSD17B10XDH
SCHEMBL23914864 0.77 S1PR2 (0.43) S1PR2XDHPTGER4
SCHEMBL23915309 0.77 XDH (0.37) XDH
SCHEMBL23914583 0.76 XDH (0.35) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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 (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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885HTT 4536/4885HSD17B10 2447/4885

“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.