SCHEMBL12373737

SCHEMBL12373737

CCn1c(C(C)NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 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
SCHEMBL12373517 0.88 S1PR1 (0.44) ALDH1A1CYP2C19KMT2ATSHR
SCHEMBL12373772 0.86 MEN1 (0.48) ALDH1A1CYP2C19SMN1; SMN2KMT2AGAA
SCHEMBL12373740 0.85 MMP2 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4119410 0.85 CNR1 (0.47) ALDH1A1POLB
SCHEMBL12373577 0.84 FFAR1 (0.47) ALDH1A1CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL12373499 0.84 S1PR1 (0.41) KMT2A
SCHEMBL12373463 0.84 MMP13 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL12373473 0.84 S1PR1 (0.53) ALDH1A1CYP2C19KMT2APOLB
SCHEMBL12373495 0.84 S1PR1 (0.43) SMN1; SMN2NPSR1HTT
SCHEMBL12373509 0.84 S1PR1 (0.41) CYP2C19KMT2A

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 2969/4885GLA 3809/4885CYP3A4 3578/4885

“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.