SCHEMBL79314

SCHEMBL79314

NC(CO)(CCc1ccc(OCCCc2cccc(Cl)c2Cl)c(C(F)(F)F)c1)CO[PH2]=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.52
MRGPRX4 Q96LA9 2/20 0.34
S1PR3 Q99500 7/20 0.33
REN P00797 2/20 0.32

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
SCHEMBL79903 0.92 S1PR1 (0.52) S1PR1MRGPRX4S1PR3
SCHEMBL80749 0.92 S1PR1 (0.53) S1PR1MRGPRX4S1PR3
SCHEMBL86327 0.90 S1PR1 (0.63) S1PR1MRGPRX4S1PR3REN
Hydrochloric Acid SCHEMBL81137 0.89 S1PR1 (0.62) S1PR1MRGPRX4S1PR3REN
SCHEMBL79147 0.89 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL79313 0.88 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL86472 0.87 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL81575 0.87 S1PR1 (0.53) S1PR1MRGPRX4S1PR3
SCHEMBL80419 0.87 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL81816 0.87 S1PR1 (0.55) S1PR1MRGPRX4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885MRGPRX4 92/4885S1PR3 821/4885

“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.