SCHEMBL4421908

SCHEMBL4421908

CCc1cccc(Sc2ccc(CC[C@@](C)(N)CO[PH](=O)OC[C@](C)(N)CCc3ccc(Sc4cccc(CC)c4)cc3Cl)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.43
HTR2C P28335 1/20 0.33
HTR6 P50406 1/20 0.33
S1PR3 Q99500 1/20 0.30

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
SCHEMBL4418394 0.95 S1PR1 (0.41) S1PR1HTR2CHTR6
SCHEMBL4331702 0.85 S1PR1 (0.41) S1PR1HTR2CHTR6
SCHEMBL11949085 0.84 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL15310532 0.84 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL11888782 0.84 S1PR1 (0.41) S1PR1
SCHEMBL12677724 0.83 S1PR1 (0.47) S1PR1HTR2CHTR6S1PR3
Hydrochloric Acid SCHEMBL3301047 0.82 S1PR1 (0.47) S1PR1HTR2CHTR6S1PR3
Hydrochloric Acid SCHEMBL3301053 0.82 S1PR1 (0.47) S1PR1HTR2CHTR6S1PR3
SCHEMBL4421903 0.81 S1PR1 (0.48) S1PR1HTR2CHTR6S1PR3
SCHEMBL4421912 0.81 S1PR1 (0.48) S1PR1HTR2CHTR6S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 S1PR1 1/4885HTR2C 779/4885HTR6 583/4885

“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.