SCHEMBL566742

SCHEMBL566742

NC(CO)(CO)CCc1ccc(CCc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 1.00
S1PR3 Q99500 8/20 0.49
TNNC1 P63316 5/20 0.49
SGPL1 O95470 1/20 0.49
S1PR4 O95977 1/20 0.49
GPR183 P32249 1/20 0.49
CERS2 Q96G23 1/20 0.49
S1PR5 Q9H228 1/20 0.49
GRM2 Q14416 1/20 0.45
GRM3 Q14832 1/20 0.45
LTA4H P09960 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLA2G4A P47712 1/20 0.40

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
Hydrochloric Acid SCHEMBL565761 0.98 S1PR1 (0.97) S1PR1S1PR3TNNC1SGPL1S1PR4
Hydrochloric Acid SCHEMBL8500518 0.87 S1PR1 (0.76) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL5565002 0.78 S1PR1 (0.64) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL10168158 0.76 S1PR1 (0.60) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL7016563 0.74 S1PR1 (0.57) S1PR1LTA4HALDH1A1LMNAGAA
SCHEMBL11134877 0.73 S1PR1 (0.58) S1PR1LTA4HALDH1A1LMNAGAA
SCHEMBL8525809 0.73 S1PR1 (0.57) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL10139265 0.73 S1PR1 (0.57) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL8498860 0.72 S1PR1 (0.61) S1PR1S1PR3TNNC1SGPL1S1PR4
SCHEMBL12243153 0.72 MAOB (0.64) S1PR1ALDH1A1LMNAGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US claimed
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-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
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.