SCHEMBL86533

SCHEMBL86533

NC(CO)(CO)CCc1ccc(OCCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.68
S1PR4 O95977 4/20 0.46
S1PR5 Q9H228 4/20 0.46
S1PR3 Q99500 3/20 0.46
TNNC1 P63316 5/20 0.41
SGPL1 O95470 1/20 0.41
GPR183 P32249 1/20 0.41
CERS2 Q96G23 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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 SCHEMBL81281 0.99 S1PR1 (0.67) S1PR1S1PR4S1PR5S1PR3TNNC1
SCHEMBL86361 0.94 S1PR1 (0.72) S1PR1S1PR4S1PR5S1PR3TNNC1
SCHEMBL86590 0.94 S1PR1 (0.66) S1PR1S1PR4S1PR5S1PR3TNNC1
Hydrochloric Acid SCHEMBL81203 0.93 S1PR1 (0.71) S1PR1S1PR4S1PR5S1PR3TNNC1
Hydrochloric Acid SCHEMBL79587 0.93 S1PR1 (0.64) S1PR1S1PR4S1PR5S1PR3TNNC1
SCHEMBL86411 0.91 S1PR1 (0.74) S1PR1S1PR4S1PR5S1PR3TNNC1
SCHEMBL86782 0.90 S1PR1 (0.76) S1PR1S1PR4S1PR5S1PR3TNNC1
Hydrochloric Acid SCHEMBL78676 0.90 S1PR1 (0.72) S1PR1S1PR4S1PR5S1PR3TNNC1
SCHEMBL80537 0.90 S1PR1 (0.56) S1PR1S1PR4S1PR5S1PR3
SCHEMBL80538 0.90 S1PR1 (0.56) S1PR1S1PR4S1PR5S1PR3

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 511/4885S1PR4 578/4885S1PR5 402/4885

“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.