SCHEMBL86555

SCHEMBL86555

CC[C@@](CCc1ccc(OCCCc2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1)(COP(=O)(OCc1ccccc1)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.40
S1PR3 Q99500 7/20 0.40
S1PR4 O95977 5/20 0.40
S1PR5 Q9H228 5/20 0.40
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
MMP12 P39900 1/20 0.36
MTNR1B P49286 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A5 Q9Y345 1/20 0.34
ADRB2 P07550 1/20 0.33

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
SCHEMBL86358 0.95 S1PR1 (0.38) S1PR1S1PR3S1PR4S1PR5PPARD
SCHEMBL86729 0.95 S1PR1 (0.38) S1PR1S1PR3S1PR4S1PR5PPARD
SCHEMBL80549 0.92 PPARD (0.40) S1PR1S1PR3S1PR4S1PR5PPARD
SCHEMBL80548 0.92 PPARD (0.40) S1PR1S1PR3S1PR4S1PR5PPARD
SCHEMBL81199 0.88 S1PR1 (0.38) S1PR1S1PR3S1PR4S1PR5PPARD
SCHEMBL81200 0.88 S1PR1 (0.38) S1PR1S1PR3S1PR4S1PR5PPARD
SCHEMBL86715 0.85 S1PR1 (0.39) S1PR1S1PR3S1PR4S1PR5PPARD
SCHEMBL13851930 0.84 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5PPARD
SCHEMBL80550 0.83 PPARG (0.36) S1PR1S1PR3S1PR4S1PR5PPARD
SCHEMBL86280 0.83 MRGPRX4 (0.39) S1PR1S1PR3S1PR4S1PR5PPARD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 511/4885S1PR3 821/4885S1PR4 578/4885

“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.