SCHEMBL10139264

SCHEMBL10139264

COc1cc(CCc2cccc(CCC(N)(CO)CO)c2)cc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.38
TNNC1 P63316 5/20 0.38
S1PR3 Q99500 2/20 0.38
SGPL1 O95470 1/20 0.38
S1PR4 O95977 1/20 0.38
GPR183 P32249 1/20 0.38
CERS2 Q96G23 1/20 0.38
S1PR5 Q9H228 1/20 0.38
CALM1 P0DP23 1/20 0.37
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
AKR1B1 P15121 1/20 0.36
PTPN1 P18031 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35

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
SCHEMBL565968 0.86 TUBB4A (0.50) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL12336983 0.80 S1PR1 (0.49) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL14116447 0.70 GAA (0.57) CALM1AKR1B1PTPN1TUBB4ATUBB
SCHEMBL8499968 0.69 S1PR1 (0.77) S1PR1TNNC1S1PR3SGPL1S1PR4
Hydrochloric Acid SCHEMBL8539800 0.68 S1PR1 (0.78) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL19628275 0.68 HSD17B10 (0.41)
SCHEMBL86251 0.67 S1PR1 (0.70) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL8535469 0.67 S1PR1 (0.71) S1PR1TNNC1S1PR3SGPL1S1PR4
SCHEMBL26782437 0.66 ALDH1A1 (0.47) CALM1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL904016 0.66 S1PR1 (0.58) S1PR1TNNC1S1PR3SGPL1S1PR4

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-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

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 1/4885TNNC1 4849/4885S1PR3 3/4885

“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.