SCHEMBL12373715

SCHEMBL12373715

CCn1c(C(C)NS(=O)(=O)c2cccc3nsnc23)cnc1Oc1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL12373720 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTTP53POLB
SCHEMBL12373520 0.84 CASP1 (0.39) SMN1; SMN2MAPTPOLBCYP1A2CYP3A4
SCHEMBL12373501 0.83 CYP1A2 (0.41) ALDH1A1SMN1; SMN2MAPTPOLBCYP1A2
SCHEMBL12373717 0.82 S1PR1 (0.41)
SCHEMBL12373551 0.82 CCR4 (0.39)
SCHEMBL12373544 0.82 PGR (0.41)
SCHEMBL12373511 0.82 PGR (0.42) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12373547 0.82 PGR (0.40) ALDH1A1MEN1KMT2A
SCHEMBL12373591 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TP53CYP1A2CYP2C9
SCHEMBL12373466 0.82 POLB (0.40) ALDH1A1SMN1; SMN2MAPTPOLBCYP1A2

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-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 ALDH1A1 2969/4885SMN1; SMN2 3091/4885MAPT 3475/4885

“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.