SCHEMBL12373566

SCHEMBL12373566

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.40
S1PR3 Q99500 1/20 0.40
CNR1 P21554 1/20 0.37
MMP13 P45452 1/20 0.36
P2RX3 P56373 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 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
SCHEMBL12373665 0.94 S1PR1 (0.39) S1PR1S1PR3CNR1MMP13P2RX3
SCHEMBL12373681 0.92 S1PR1 (0.44) S1PR1S1PR3CNR1MMP13P2RX3
SCHEMBL12373517 0.90 S1PR1 (0.44) S1PR1S1PR3CNR1MMP13ALDH1A1
SCHEMBL12373764 0.89 S1PR1 (0.43) S1PR1S1PR3ALDH1A1CYP2C19
SCHEMBL12373464 0.89 KDM4E (0.41) S1PR1S1PR3CNR1MMP13ALDH1A1
SCHEMBL12373690 0.89 S1PR1 (0.41) S1PR1S1PR3CNR1PKMCA12
SCHEMBL12373469 0.88 PGR (0.41) S1PR1S1PR3CNR1MMP13CYP2D6
SCHEMBL4119410 0.87 CNR1 (0.47) S1PR1S1PR3CNR1MMP13ALDH1A1
SCHEMBL12373648 0.87 S1PR1 (0.40) S1PR1S1PR3CNR1MMP13P2RX3
SCHEMBL12373619 0.87 S1PR1 (0.48) S1PR1S1PR3CNR1PKM

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.