SCHEMBL86444

SCHEMBL86444

NC(CO)(CO)CCc1ccc(OCCc2ccc3ccccc3c2)c(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.66
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
S1PR3 Q99500 3/20 0.39
S1PR4 O95977 3/20 0.39
S1PR5 Q9H228 3/20 0.39
SLC13A5 Q86YT5 1/20 0.36
CYP2C9 P11712 1/20 0.35
SGPL1 O95470 1/20 0.34
GPR183 P32249 1/20 0.34
TNNC1 P63316 1/20 0.34
CERS2 Q96G23 1/20 0.34

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 SCHEMBL81577 0.99 S1PR1 (0.65) S1PR1PPARGPPARDPPARAS1PR3
SCHEMBL86552 0.94 S1PR1 (0.68) S1PR1PPARGPPARDPPARAS1PR3
Hydrochloric Acid SCHEMBL80019 0.94 S1PR1 (0.67) S1PR1PPARGPPARDPPARAS1PR3
SCHEMBL81754 0.89 S1PR1 (0.54) S1PR1PPARGPPARDPPARAS1PR3
SCHEMBL81755 0.89 S1PR1 (0.54) S1PR1PPARGPPARDPPARAS1PR3
SCHEMBL86745 0.88 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL80345 0.84 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL80344 0.84 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL86361 0.84 S1PR1 (0.72) S1PR1PPARGPPARDPPARAS1PR3
SCHEMBL86827 0.84 S1PR1 (0.72) S1PR1PPARGPPARDPPARAS1PR3

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 5 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
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 511/4885PPARG 1030/4885PPARD 1369/4885

“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.