SCHEMBL82316

SCHEMBL82316

CCCCC(CCC[InH2])CCCOc1ccc(CCC2(NC(=O)OC(C)(C)C)COC(C)(C)OC2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.38
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
AAK1 Q2M2I8 8/20 0.32
PPARG P37231 2/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 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
SCHEMBL4151811 0.89 S1PR1 (0.49) S1PR1THRATHRBAAK1PPARG
SCHEMBL2467509 0.89 S1PR1 (0.49) S1PR1THRATHRBAAK1PPARG
SCHEMBL81173 0.85 S1PR1 (0.39) S1PR1THRATHRBAAK1PPARG
SCHEMBL81776 0.84 S1PR1 (0.36) S1PR1THRATHRBAAK1PPARG
SCHEMBL79195 0.83 S1PR1 (0.37) S1PR1THRATHRBAAK1PPARG
SCHEMBL80424 0.83 PPARG (0.38) S1PR1THRATHRBPPARG
SCHEMBL80868 0.83 PPARG (0.40) S1PR1THRATHRBAAK1PPARG
SCHEMBL80107 0.83 S1PR1 (0.37) S1PR1THRATHRBPPARGPTGES
SCHEMBL81897 0.83 S1PR1 (0.37) S1PR1THRATHRBAAK1PPARG
SCHEMBL79544 0.83 S1PR1 (0.36) S1PR1THRATHRBAAK1PPARG

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 3 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

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 511/4885THRA 1980/4885THRB 1455/4885

“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.