SCHEMBL81315

SCHEMBL81315

NC(CO)(CCc1ccc(OCc2cccc(Oc3ccccc3)c2)c(C(F)(F)F)c1)CO[PH2]=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.47
FFAR4 Q5NUL3 3/20 0.45
FFAR1 O14842 2/20 0.45
S1PR3 Q99500 6/20 0.43
MRGPRX4 Q96LA9 5/20 0.42
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 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
SCHEMBL82001 0.94 S1PR1 (0.48) S1PR1FFAR4FFAR1S1PR3MRGPRX4
SCHEMBL86784 0.91 S1PR1 (0.56) S1PR1FFAR4FFAR1S1PR3MRGPRX4
Hydrochloric Acid SCHEMBL81483 0.90 S1PR1 (0.55) S1PR1FFAR4FFAR1S1PR3MRGPRX4
SCHEMBL81314 0.89 S1PR1 (0.46) S1PR1FFAR4FFAR1S1PR3MRGPRX4
SCHEMBL86569 0.88 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL82248 0.84 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL86423 0.84 S1PR1 (0.57) S1PR1FFAR4FFAR1S1PR3MRGPRX4
SCHEMBL79188 0.84 S1PR1 (0.60) S1PR1S1PR3
Hydrochloric Acid SCHEMBL77508 0.83 S1PR1 (0.56) S1PR1FFAR4FFAR1S1PR3MRGPRX4
SCHEMBL80895 0.83 S1PR1 (0.62) S1PR1S1PR3

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 4 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-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 511/4885FFAR4 1753/4885FFAR1 1919/4885

“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.