SCHEMBL23914671

SCHEMBL23914671

N#Cc1cc2nc(C=O)cn2cc1OCC(F)F

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.31
MBOAT4 Q96T53 2/20 0.31
ACACB O00763 1/20 0.30
ABCC4 O15439 1/20 0.30
ABCB11 O95342 1/20 0.30
PGR P06401 1/20 0.30
CHRM1 P11229 1/20 0.30
PDE4A P27815 1/20 0.30
BLVRB P30043 1/20 0.30
XDH P47989 1/20 0.30
TARBP2 Q15633 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL23915454 0.81 XDH (0.39) XDH
SCHEMBL23915308 0.80 MBOAT4 (0.33) S1PR1MBOAT4ACACBXDH
SCHEMBL23914674 0.76 ACACB (0.34) S1PR1MBOAT4ACACBABCC4ABCB11
SCHEMBL23914621 0.69 TSHR (0.41)
SCHEMBL18122085 0.64 AR (0.43) S1PR1MBOAT4XDH
SCHEMBL23909028 0.63 S1PR2 (0.47)
SCHEMBL23909016 0.63 MBOAT4 (0.36) S1PR1MBOAT4XDH
SCHEMBL23915568 0.63 AAK1 (0.43) S1PR1MBOAT4XDH
SCHEMBL4897330 0.62 APP (0.47)
SCHEMBL28615840 0.62 NTRK1 (0.44) S1PR1XDH

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 S1PR1 1/4885MBOAT4 4582/4885ACACB 844/4885

“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.