SCHEMBL86371

SCHEMBL86371

NC(CO)(CO)CCc1ccc(OCCCN2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.63
EPHX2 P34913 7/20 0.44
KDM4E B2RXH2 2/20 0.43
BRAF P15056 2/20 0.42
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
RAF1 P04049 1/20 0.41
ARAF P10398 1/20 0.41
HRH3 Q9Y5N1 3/20 0.41
USP2 O75604 1/20 0.41

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
Hydrochloric Acid SCHEMBL79280 0.99 S1PR1 (0.62) S1PR1EPHX2KDM4EBRAFHTR1A
SCHEMBL86947 0.91 S1PR1 (0.67) S1PR1KDM4EHRH3
Hydrochloric Acid SCHEMBL80314 0.90 S1PR1 (0.66) S1PR1KDM4EHRH3
Hydrochloric Acid SCHEMBL27806812 0.80 S1PR1 (0.75) S1PR1
SCHEMBL13665540 0.79 S1PR1 (0.81) S1PR1
SCHEMBL13665400 0.79 S1PR1 (0.81) S1PR1
SCHEMBL13664774 0.79 S1PR1 (0.81) S1PR1
SCHEMBL78712 0.78 S1PR1 (0.69) S1PR1
SCHEMBL86361 0.78 S1PR1 (0.72) S1PR1
Amiselimod SCHEMBL2463680 0.78 S1PR1 (1.00) S1PR1

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 6 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-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
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 511/4885EPHX2 1272/4885KDM4E 1233/4885

“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.