SCHEMBL80501

SCHEMBL80501

CC(C)(C)OC(=O)NC(CO)(CO)CCc1ccc(OCCCCC2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
HPGD P15428 3/20 0.40
PPARG P37231 5/20 0.38
ALOX5 P09917 1/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
AAK1 Q2M2I8 3/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL13664785 0.86 S1PR1 (0.64) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL2464915 0.86 S1PR1 (0.64) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL80472 0.85 S1PR1 (0.49) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL81403 0.84 S1PR1 (0.51) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL4153787 0.83 S1PR1 (0.62) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL17733495 0.82 ITGB3 (0.43) S1PR1HPGDPPARGALOX5PPARD
SCHEMBL13665155 0.81 S1PR1 (0.60) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL86360 0.79 S1PR1 (0.70) S1PR1HPGD
SCHEMBL81217 0.79 S1PR1 (0.43) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL86580 0.79 ITGB3 (0.40) S1PR1HPGDPPARGALOX5NAAA

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 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-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
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 511/4885HPGD 2722/4885PPARG 1030/4885

“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.