SCHEMBL10171069

SCHEMBL10171069

CCCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C12CC3CC(CC1C3)C2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.57
S1PR3 Q99500 7/20 0.46
TNNC1 P63316 6/20 0.46
S1PR4 O95977 5/20 0.46
S1PR5 Q9H228 5/20 0.46
SGPL1 O95470 1/20 0.46
GPR183 P32249 1/20 0.46
CERS2 Q96G23 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
S1PR2 O95136 3/20 0.41
ALOX15 P16050 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
SCHEMBL566429 0.89 S1PR1 (0.60) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL567052 0.89 S1PR1 (0.59) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL8495816 0.76 S1PR1 (0.73) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL12337241 0.76 S1PR1 (0.73) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL8535469 0.75 S1PR1 (0.71) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL2013316 0.75 S1PR1 (0.71) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL2462141 0.75 S1PR1 (0.71) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL10139273 0.74 S1PR1 (0.43) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL2468253 0.73 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5
Amiselimod SCHEMBL2463680 0.73 S1PR1 (1.00) S1PR1S1PR3TNNC1S1PR4S1PR5

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-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.