SCHEMBL12373665

SCHEMBL12373665

CCn1c(C(C)NS(=O)(=O)c2ccc(Br)c(C)c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.39
S1PR3 Q99500 1/20 0.39
CNR1 P21554 1/20 0.37
MMP13 P45452 1/20 0.36
PPARG P37231 1/20 0.35
P2RX3 P56373 1/20 0.35
PKM P14618 1/20 0.35
GCK P35557 3/20 0.35
ALDH1A1 P00352 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL12373566 0.94 S1PR1 (0.40) S1PR1S1PR3CNR1MMP13P2RX3
SCHEMBL12373690 0.92 S1PR1 (0.41) S1PR1S1PR3CNR1PKMGCK
SCHEMBL12373681 0.91 S1PR1 (0.44) S1PR1S1PR3CNR1MMP13PPARG
SCHEMBL12373517 0.89 S1PR1 (0.44) S1PR1S1PR3CNR1MMP13ALDH1A1
SCHEMBL12373764 0.89 S1PR1 (0.43) S1PR1S1PR3PPARGALDH1A1
SCHEMBL12373464 0.89 KDM4E (0.41) S1PR1S1PR3CNR1MMP13ALDH1A1
SCHEMBL12373469 0.87 PGR (0.41) S1PR1S1PR3CNR1MMP13
SCHEMBL12373481 0.87 S1PR1 (0.47) S1PR1S1PR3CNR1ALDH1A1
SCHEMBL12373675 0.87 S1PR1 (0.45) S1PR1S1PR3CNR1PKM
SCHEMBL4119410 0.86 CNR1 (0.47) S1PR1S1PR3CNR1MMP13ALDH1A1

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 S1PR1 1/4885S1PR3 2/4885CNR1 17/4885

“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.