SCHEMBL86203

SCHEMBL86203

Cc1ccc(C)c(CCCOc2ccc(CCC(N)(CO)CO)cc2C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.67
TNNC1 P63316 5/20 0.37
S1PR3 Q99500 2/20 0.37
SGPL1 O95470 1/20 0.37
S1PR4 O95977 1/20 0.37
GPR183 P32249 1/20 0.37
CERS2 Q96G23 1/20 0.37
S1PR5 Q9H228 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
TTR P02766 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 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 SCHEMBL80770 0.99 S1PR1 (0.66) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL86262 0.91 S1PR1 (0.66) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL82123 0.90 S1PR1 (0.55) S1PR1S1PR3PPARGPPARAPPARD
SCHEMBL82122 0.90 S1PR1 (0.55) S1PR1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL78811 0.90 S1PR1 (0.65) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL87012 0.89 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL86799 0.89 S1PR1 (0.69) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL86226 0.88 S1PR1 (0.74) S1PR1TNNC1S1PR3SGPL1S1PR4
Hydrochloric Acid SCHEMBL81484 0.88 S1PR1 (0.67) S1PR1TNNC1S1PR3SGPL1S1PR4
Hydrochloric Acid SCHEMBL79762 0.87 S1PR1 (0.72) S1PR1TNNC1S1PR3SGPL1S1PR4

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 511/4885TNNC1 602/4885S1PR3 821/4885

“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.