SCHEMBL566497

SCHEMBL566497

CC(C)N(Cc1ccc(-c2ccc(C=CC(CO)(CO)NC(=O)O)cc2)cc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.49
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
NR1H4 Q96RI1 2/20 0.36
CETP P11597 1/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
MME P08473 2/20 0.34
ACE P12821 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL566496 1.00 S1PR1 (0.49) S1PR1AKR1C4AKR1C3AKR1C2NR1H4
Hydrochloric Acid SCHEMBL566344 0.81 S1PR1 (0.46) S1PR1NR1H4LTB4R2TUBB4ATUBB
Hydrochloric Acid SCHEMBL566345 0.81 S1PR1 (0.46) S1PR1NR1H4LTB4R2TUBB4ATUBB
SCHEMBL177116 0.75 S1PR1 (0.55) S1PR1LTB4R2ALDH1A1MCHR1MMP13
SCHEMBL17503651 0.71 S1PR1 (0.59) S1PR1LTB4R2MCHR1MMP13ADAMTS4
SCHEMBL177322 0.71 S1PR1 (0.59) S1PR1LTB4R2ALDH1A1MCHR1
SCHEMBL177452 0.70 S1PR1 (0.55) S1PR1LTB4R2ALDH1A1SMN1; SMN2MCHR1
SCHEMBL177596 0.68 S1PR1 (0.53) S1PR1CETPLTB4R2ALDH1A1MCHR1
SCHEMBL177204 0.66 S1PR1 (1.00) S1PR1
SCHEMBL13779233 0.65 S1PR1 (0.46) S1PR1

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
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
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

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 1/4885AKR1C4 904/4885AKR1C3 493/4885

“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.