SCHEMBL23914852

SCHEMBL23914852

CC(=O)OCc1nc2cc(OCC3CC3)c(C#N)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.43
S1PR2 O95136 3/20 0.40
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL23966533 0.96 XDH (0.45) XDHS1PR2MAPTMAPK1SMN1; SMN2
SCHEMBL23914602 0.85 S1PR2 (0.41) S1PR2MAPTMAPK1SMN1; SMN2
SCHEMBL23908744 0.71 S1PR2 (0.80) S1PR2
SCHEMBL23909059 0.71 S1PR2 (0.42) XDHS1PR2
SCHEMBL23914853 0.69 XDH (0.38) XDH
SCHEMBL23966834 0.69 XDH (0.38) XDH
SCHEMBL22199021 0.65 XDH (0.47) XDH
SCHEMBL23914653 0.65 RHEB (0.41) XDHS1PR2MAPTSMN1; SMN2
SCHEMBL9675828 0.65 IDO1 (0.54) MAPTMAPK1SMN1; SMN2
SCHEMBL9675810 0.65 MAPT (0.45) MAPTMAPK1SMN1; SMN2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
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 XDH 3672/4885S1PR2 3/4885MAPT 4876/4885

“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.