SCHEMBL9996172

SCHEMBL9996172

CC1C(C(=O)O)CN1Cc1ccc(OCc2coc3ccc(Cl)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.47
S1PR1 P21453 6/20 0.47
LTK P29376 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR1 O14842 2/20 0.39
PTGER4 P35408 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HPGD P15428 1/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
SLC26A4 O43511 2/20 0.38
POLB P06746 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37

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
SCHEMBL177396 0.83 S1PR5 (0.69) S1PR5S1PR1LTKTAOK1HTR2A
SCHEMBL177276 0.79 S1PR5 (0.55) S1PR5S1PR1LTKTAOK1ALDH1A1
SCHEMBL177137 0.70 PTPN1 (0.47) ALDH1A1KDM4EHSD17B10KCNH2SLC26A4
SCHEMBL9543098 0.67 MAPT (0.50) S1PR5S1PR1ALDH1A1DRD2DRD3
SCHEMBL3047261 0.64 S1PR5 (1.00) S1PR5S1PR1LTKTAOK1FFAR1
SCHEMBL7533220 0.64 ALOX15 (0.58) ALDH1A1KDM4EHSD17B10HPGDKCNH2
SCHEMBL4452486 0.63 PTPN1 (0.50) ALDH1A1KDM4EHSD17B10KCNH2POLB
SCHEMBL15898857 0.62 PTPN1 (0.41) ALDH1A1KDM4EHSD17B10KCNH2POLB
SCHEMBL17321014 0.62 PDE10A (0.43) ALDH1A1KDM4EHSD17B10KCNH2POLB
SCHEMBL9996167 0.62 S1PR1 (0.58) S1PR5S1PR1

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-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 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 (2 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-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 S1PR5 2/4885S1PR1 1/4885LTK 275/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 S1PR5 3/4885S1PR1 1/4885LTK 530/4885

“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.