SCHEMBL4415301

SCHEMBL4415301

CC(CO)(CCCc1ccc(Sc2cccc(C(F)F)c2)cc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 15/20 0.37
S1PR1 P21453 2/20 0.37
TRPV1 Q8NER1 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 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
SCHEMBL4336294 1.00 AAK1 (0.37) AAK1S1PR1TRPV1TP53SMN1; SMN2
SCHEMBL3303016 0.88 IDO1 (0.39) AAK1S1PR1TP53SMN1; SMN2IDO1
SCHEMBL3303023 0.88 IDO1 (0.39) AAK1S1PR1TP53SMN1; SMN2IDO1
SCHEMBL4416683 0.88 S1PR1 (0.36) AAK1S1PR1TRPV1
SCHEMBL4416679 0.88 S1PR1 (0.36) AAK1S1PR1TRPV1
SCHEMBL3299918 0.87 S1PR1 (0.37) AAK1S1PR1TRPV1IDO1
SCHEMBL3302985 0.87 S1PR1 (0.37) AAK1S1PR1TRPV1IDO1
Hydrochloric Acid SCHEMBL3304662 0.86 S1PR1 (0.37) AAK1S1PR1TRPV1IDO1
SCHEMBL3309505 0.86 S1PR1 (0.39) AAK1S1PR1TP53SMN1; SMN2IDO1
SCHEMBL3309512 0.86 S1PR1 (0.39) AAK1S1PR1TP53SMN1; SMN2IDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2058317-B1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2013-10-16 EP disclosed
US-8232319-B2 Amino phosphate derivative and S1P receptor modulator having same as an active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-31 US disclosed
US-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US 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-20090325907-A1 AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT S1PR1, S1PR2, S1PR5 AAK1 427/4885S1PR1 1/4885TRPV1 45/4885

“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.