SCHEMBL79848

SCHEMBL79848

NC(C=Cc1ccc(OCCCc2ccccc2F)c(C(F)(F)F)c1)(CO)CO[PH2]=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.35
AKR1C3 P42330 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKR1C2 P52895 1/20 0.31
ALOX5 P09917 1/20 0.31
HPGD P15428 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL79008 0.90 S1PR1 (0.39) S1PR1AKR1C3ALDH1A1MAPTMAPK1
SCHEMBL79007 0.90 S1PR1 (0.39) S1PR1AKR1C3ALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL80646 0.89 S1PR1 (0.39) S1PR1AKR1C3ALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL80645 0.89 S1PR1 (0.39) S1PR1AKR1C3ALDH1A1MAPTMAPK1
SCHEMBL17733328 0.89 S1PR1 (0.38) S1PR1AKR1C3ALDH1A1MAPTMAPK1
SCHEMBL79238 0.89 S1PR1 (0.38) S1PR1AKR1C3ALDH1A1HPGDS1PR4
SCHEMBL79847 0.88 S1PR1 (0.35) S1PR1AKR1C3ALDH1A1MAPTMAPK1
SCHEMBL87037 0.87 S1PR1 (0.41) S1PR1S1PR4S1PR3S1PR5
SCHEMBL79994 0.84 S1PR1 (0.40) S1PR1ALOX5HPGDCTSSCTSK
SCHEMBL79207 0.83 S1PR1 (0.39) S1PR1HPGDS1PR4S1PR3S1PR5

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 7 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 claimed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US claimed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP claimed
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 511/4885AKR1C3 1806/4885ALDH1A1 646/4885

“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.