SCHEMBL86381

SCHEMBL86381

NC(CO)(CO)CCc1ccc(OCCCc2cccc(C3CC3)c2)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.62
TNNC1 P63316 5/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
SGPL1 O95470 1/20 0.36
GPR183 P32249 1/20 0.36
CERS2 Q96G23 1/20 0.36
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 1/20 0.34
FLT4 P35916 2/20 0.34
PTK2 Q05397 2/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GRM2 Q14416 1/20 0.33

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 SCHEMBL82091 0.99 S1PR1 (0.61) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL86222 0.91 S1PR1 (0.66) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL81479 0.90 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5HPGD
SCHEMBL81480 0.90 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5HPGD
Hydrochloric Acid SCHEMBL81348 0.90 S1PR1 (0.64) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL86575 0.90 S1PR1 (0.51) S1PR1S1PR3S1PR4S1PR5
SCHEMBL86361 0.85 S1PR1 (0.72) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL80408 0.85 S1PR1 (0.68) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL86342 0.85 S1PR1 (0.68) S1PR1TNNC1S1PR3S1PR4S1PR5
Hydrochloric Acid SCHEMBL81203 0.84 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 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.