SCHEMBL12373523

SCHEMBL12373523

CCn1c(C(C)NS(=O)(=O)c2cccc(C)c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
S1PR1 P21453 10/20 0.39
S1PR3 Q99500 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MMP13 P45452 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 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
SCHEMBL12373552 0.92 PGR (0.44) S1PR1S1PR3ALDH1A1CNR1PKM
SCHEMBL12373463 0.92 MMP13 (0.41) S1PR1ALDH1A1CNR1SMN1; SMN2MMP13
SCHEMBL12373634 0.92 PGR (0.41) S1PR1S1PR3MMP13
SCHEMBL12373469 0.92 PGR (0.41) KMT2AS1PR1S1PR3HTTCNR1
SCHEMBL12373593 0.92 S1PR1 (0.46) KMT2AS1PR1S1PR3ALDH1A1L3MBTL1
SCHEMBL12373648 0.91 S1PR1 (0.40) S1PR1S1PR3CNR1CA12CA2
SCHEMBL12373651 0.90 KDM2B (0.40) S1PR1S1PR3SMN1; SMN2MMP13
SCHEMBL12373517 0.90 S1PR1 (0.44) KMT2AS1PR1S1PR3ALDH1A1CNR1
SCHEMBL12373478 0.89 S1PR1 (0.48) S1PR1MMP13
SCHEMBL12373743 0.89 SMN1; SMN2 (0.41) KMT2AS1PR1S1PR3ALDH1A1HTT

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 KMT2A 3906/4885S1PR1 1/4885S1PR3 2/4885

“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.