SCHEMBL79238

SCHEMBL79238

NC(C=Cc1ccc(OCCCc2ccccc2)c(C(F)(F)F)c1)(CO)CO[PH2]=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.38
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR3 Q99500 1/20 0.36
HPGD P15428 2/20 0.35
AKR1C3 P42330 3/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
AKR1B10 O60218 2/20 0.33
AKR1B1 P15121 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
C5AR1 P21730 1/20 0.32
MCL1 Q07820 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TTR P02766 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
SCHEMBL79994 0.91 S1PR1 (0.40) S1PR1S1PR4S1PR5S1PR3HPGD
SCHEMBL79207 0.91 S1PR1 (0.39) S1PR1S1PR4S1PR5S1PR3HPGD
SCHEMBL81752 0.91 S1PR1 (0.37) S1PR1S1PR4MRGPRX4ALDH1A1
SCHEMBL80370 0.90 S1PR1 (0.43) S1PR1S1PR4S1PR5S1PR3HPGD
SCHEMBL80369 0.90 S1PR1 (0.43) S1PR1S1PR4S1PR5S1PR3HPGD
SCHEMBL79848 0.89 S1PR1 (0.35) S1PR1S1PR4S1PR5S1PR3HPGD
Hydrochloric Acid SCHEMBL80525 0.89 S1PR1 (0.43) S1PR1S1PR4S1PR5S1PR3HPGD
Hydrochloric Acid SCHEMBL80526 0.89 S1PR1 (0.43) S1PR1S1PR4S1PR5S1PR3HPGD
SCHEMBL79237 0.87 S1PR1 (0.38) S1PR1S1PR4S1PR5S1PR3HPGD
SCHEMBL86582 0.86 S1PR1 (0.47) S1PR1S1PR4S1PR5S1PR3

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 8 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
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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 511/4885S1PR4 578/4885S1PR5 402/4885

“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.