SCHEMBL79312

SCHEMBL79312

Cc1cccc(CCCOc2ccc(CCC(N)(CO)CO)cc2C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.70
TNNC1 P63316 5/20 0.41
S1PR3 Q99500 4/20 0.41
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 2/20 0.41
SGPL1 O95470 1/20 0.41
GPR183 P32249 1/20 0.41
CERS2 Q96G23 1/20 0.41
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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 SCHEMBL81848 0.99 S1PR1 (0.69) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL86646 0.95 S1PR1 (0.63) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL86643 0.95 S1PR1 (0.66) S1PR1TNNC1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL81284 0.94 S1PR1 (0.65) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL86516 0.94 S1PR1 (0.62) S1PR1TNNC1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL80879 0.94 S1PR1 (0.62) S1PR1TNNC1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL79508 0.93 S1PR1 (0.61) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL86426 0.91 S1PR1 (0.72) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL86950 0.91 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5FFAR4
Hydrochloric Acid SCHEMBL80120 0.90 S1PR1 (0.71) S1PR1TNNC1S1PR3S1PR4S1PR5

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 12 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 claimed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US claimed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US claimed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP claimed
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 511/4885TNNC1 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.