SCHEMBL79691

SCHEMBL79691

NC(CO)(CCc1ccc(OCCCc2cc(Cl)ccc2F)c(C(F)(F)F)c1)CO[PH2]=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.53
S1PR3 Q99500 8/20 0.37
MRGPRX4 Q96LA9 3/20 0.36
SLC6A4 P31645 1/20 0.34
LPAR1 Q92633 1/20 0.33
NR3C2 P08235 1/20 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
SCHEMBL81575 0.93 S1PR1 (0.53) S1PR1S1PR3MRGPRX4SLC6A4
SCHEMBL80562 0.91 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL79888 0.90 S1PR1 (0.57) S1PR1S1PR3MRGPRX4
SCHEMBL86345 0.90 S1PR1 (0.64) S1PR1S1PR3MRGPRX4SLC6A4LPAR1
SCHEMBL81068 0.90 S1PR1 (0.55) S1PR1S1PR3
SCHEMBL80419 0.90 S1PR1 (0.55) S1PR1S1PR3LPAR1
SCHEMBL79482 0.89 S1PR1 (0.58) S1PR1S1PR3NR3C2
Hydrochloric Acid SCHEMBL79486 0.89 S1PR1 (0.63) S1PR1S1PR3MRGPRX4SLC6A4LPAR1
SCHEMBL81337 0.88 S1PR1 (0.57) S1PR1S1PR3NR3C2
SCHEMBL79690 0.88 S1PR1 (0.53) S1PR1S1PR3MRGPRX4SLC6A4

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 511/4885S1PR3 821/4885MRGPRX4 92/4885

“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.