SCHEMBL86215

SCHEMBL86215

NC(CO)(CO)CCc1ccc(OCCCc2cccc3ccccc23)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.63
S1PR3 Q99500 2/20 0.41
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SMPD1 P17405 1/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
MCL1 Q07820 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MCHR1 Q99705 1/20 0.34
TNNC1 P63316 5/20 0.34
SGPL1 O95470 1/20 0.34
S1PR4 O95977 1/20 0.34
GPR183 P32249 1/20 0.34
CERS2 Q96G23 1/20 0.34
S1PR5 Q9H228 1/20 0.34
TRPV1 Q8NER1 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 SCHEMBL81223 0.99 S1PR1 (0.62) S1PR1S1PR3CTSSCTSKSMPD1
SCHEMBL82094 0.91 S1PR1 (0.53) S1PR1S1PR3MCL1S1PR4S1PR5
SCHEMBL82095 0.90 S1PR1 (0.52) S1PR1S1PR3CTSSCTSKMCL1
SCHEMBL86744 0.90 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5
SCHEMBL86234 0.89 S1PR1 (0.69) S1PR1S1PR3NR3C2FFAR1FFAR4
Hydrochloric Acid SCHEMBL81319 0.88 S1PR1 (0.68) S1PR1S1PR3NR3C2FFAR1FFAR4
SCHEMBL86388 0.87 S1PR1 (0.67) S1PR1S1PR3CTSSCTSKFFAR1
SCHEMBL86799 0.86 S1PR1 (0.69) S1PR1S1PR3FFAR1FFAR4TNNC1
Hydrochloric Acid SCHEMBL82222 0.86 S1PR1 (0.66) S1PR1S1PR3FFAR1FFAR4TNNC1
SCHEMBL86552 0.85 S1PR1 (0.68) S1PR1S1PR3CTSSCTSKNR3C1

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
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 821/4885CTSS 4376/4885

“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.