SCHEMBL10139231

SCHEMBL10139231

Cc1cc(CCc2ccc3c(c2)CCN3CC(N)(CO)CO)cc(C)c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.69
ALOX5 P09917 4/20 0.35
TP53 P04637 2/20 0.34
EPHX2 P34913 3/20 0.34
S1PR3 Q99500 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
SMAD3 P84022 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL566252 0.82 S1PR1 (0.64) S1PR1TP53MAPTLMNA
SCHEMBL566250 0.81 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL566409 0.76 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL566651 0.75 S1PR1 (0.87) S1PR1TP53S1PR3MAPTKDM4E
SCHEMBL10139281 0.68 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL566696 0.68 S1PR1 (0.62) S1PR1S1PR3MAPTMEN1ALDH1A1
SCHEMBL10139282 0.66 S1PR1 (0.81) S1PR1S1PR3
SCHEMBL27401083 0.64 S1PR1 (0.46) S1PR1ALOX5TP53EPHX2MAPT
SCHEMBL566420 0.64 S1PR1 (0.74) S1PR1S1PR3
SCHEMBL565912 0.62 S1PR1 (0.83) S1PR1S1PR3

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 1/4885ALOX5 583/4885TP53 1498/4885

“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.