SCHEMBL86526

SCHEMBL86526

NC(CO)(CO)CCc1ccc(OCCCc2ccc(F)c(C(F)(F)F)c2)c(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.72
NR3C2 P08235 1/20 0.42
TNNC1 P63316 5/20 0.41
S1PR3 Q99500 3/20 0.41
SGPL1 O95470 1/20 0.41
S1PR4 O95977 1/20 0.41
GPR183 P32249 1/20 0.41
CERS2 Q96G23 1/20 0.41
S1PR5 Q9H228 1/20 0.41
SCD O00767 1/20 0.39
USP28 Q96RU2 1/20 0.39
USP25 Q9UHP3 1/20 0.39
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
SLC6A4 P31645 1/20 0.38

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 SCHEMBL81226 0.99 S1PR1 (0.71) S1PR1NR3C2TNNC1S1PR3SGPL1
SCHEMBL86301 0.94 S1PR1 (0.71) S1PR1NR3C2TNNC1S1PR3SGPL1
Hydrochloric Acid SCHEMBL79519 0.93 S1PR1 (0.69) S1PR1NR3C2TNNC1S1PR3SGPL1
SCHEMBL80535 0.92 S1PR1 (0.71) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL86527 0.91 S1PR1 (0.70) S1PR1NR3C2TNNC1S1PR3SGPL1
SCHEMBL86193 0.91 S1PR1 (0.67) S1PR1NR3C2TNNC1S1PR3SGPL1
Hydrochloric Acid SCHEMBL79494 0.91 S1PR1 (0.69) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL86231 0.91 S1PR1 (0.72) S1PR1TNNC1S1PR3SGPL1S1PR4
Hydrochloric Acid SCHEMBL78965 0.90 S1PR1 (0.66) S1PR1NR3C2TNNC1S1PR3SGPL1
Hydrochloric Acid SCHEMBL79336 0.90 S1PR1 (0.69) S1PR1NR3C2TNNC1S1PR3SGPL1

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 6 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
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 511/4885NR3C2 128/4885TNNC1 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.