SCHEMBL86552

SCHEMBL86552

NC(CO)(CO)CCc1ccc(OCCCc2ccc3ccccc3c2)c(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.68
S1PR3 Q99500 4/20 0.42
TNNC1 P63316 5/20 0.39
SGPL1 O95470 1/20 0.39
S1PR4 O95977 1/20 0.39
GPR183 P32249 1/20 0.39
CERS2 Q96G23 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SLC13A5 Q86YT5 1/20 0.36
NR3C1 P04150 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
Hydrochloric Acid SCHEMBL80019 0.99 S1PR1 (0.67) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL86444 0.94 S1PR1 (0.66) S1PR1S1PR3TNNC1SGPL1S1PR4
Hydrochloric Acid SCHEMBL81577 0.94 S1PR1 (0.65) S1PR1S1PR3S1PR4S1PR5PPARG
SCHEMBL86361 0.90 S1PR1 (0.72) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL80344 0.90 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL80345 0.90 S1PR1 (0.56) S1PR1S1PR3
Hydrochloric Acid SCHEMBL81203 0.89 S1PR1 (0.71) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL86727 0.89 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5
SCHEMBL86533 0.87 S1PR1 (0.68) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL86411 0.87 S1PR1 (0.74) S1PR1S1PR3TNNC1SGPL1S1PR4

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 511/4885S1PR3 821/4885TNNC1 602/4885

“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.