SCHEMBL79846

SCHEMBL79846

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3cccc(F)c3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CDK9 P50750 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GLS O94925 1/20 0.33
PPARG P37231 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL79195 0.93 S1PR1 (0.37) S1PR1MRGPRX4THRATHRBPPARG
SCHEMBL80424 0.93 PPARG (0.38) S1PR1THRATHRBPPARGLMNA
SCHEMBL80595 0.92 FFAR4 (0.37) S1PR1THRATHRBGLSLMNA
SCHEMBL80104 0.92 S1PR1 (0.35) S1PR1MRGPRX4THRATHRBGLS
SCHEMBL81897 0.92 S1PR1 (0.37) S1PR1MRGPRX4THRATHRBGLS
SCHEMBL80214 0.92 S1PR1 (0.35) S1PR1MRGPRX4CTSSCTSKTHRA
SCHEMBL79200 0.92 MRGPRX4 (0.38) S1PR1MRGPRX4THRATHRBGLS
SCHEMBL77941 0.91 MTNR1B (0.38) S1PR1ALDH1A1POLBMEN1KMT2A
SCHEMBL79272 0.91 S1PR1 (0.37) S1PR1CTSSCTSKTHRATHRB
SCHEMBL80885 0.90 PPARG (0.34) S1PR1MRGPRX4THRATHRBGLS

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 511/4885MRGPRX4 92/4885CTSS 4376/4885

“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.