SCHEMBL565320

SCHEMBL565320

Cc1ccc(-c2ccc(CCC(N)(CO)CO)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.60
S1PR3 Q99500 5/20 0.60
TNNC1 P63316 6/20 0.58
SGPL1 O95470 1/20 0.58
S1PR4 O95977 1/20 0.58
GPR183 P32249 1/20 0.58
CERS2 Q96G23 1/20 0.58
S1PR5 Q9H228 1/20 0.58
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47

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
SCHEMBL904106 0.94 S1PR1 (0.64) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6528287 0.86 S1PR1 (0.68) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL16202259 0.85 S1PR1 (0.67) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL16202260 0.85 S1PR1 (0.55) S1PR1S1PR3TNNC1SGPL1S1PR4
Hydrochloric Acid SCHEMBL6528090 0.84 S1PR1 (0.69) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL1687940 0.84 S1PR1 (0.53) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL1687946 0.84 S1PR1 (0.53) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL1687904 0.84 S1PR1 (0.53) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6529404 0.84 S1PR1 (0.59) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL6502901 0.81 S1PR1 (0.88) S1PR1S1PR3TNNC1SGPL1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP claimed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO claimed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 S1PR1 1/4885S1PR3 3/4885TNNC1 4849/4885

“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.