SCHEMBL12373478

SCHEMBL12373478

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.48
PGR P06401 1/20 0.44
NR3C1 P04150 1/20 0.42
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
TRIM24 O15164 1/20 0.38
MAPT P10636 1/20 0.38
P2RX3 P56373 1/20 0.38
HDAC1 Q13547 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CKS1B P61024 1/20 0.38
SKP2 Q13309 1/20 0.38
ACLY P53396 1/20 0.37
TBXA2R P21731 1/20 0.37
SCN9A Q15858 1/20 0.36

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
SCHEMBL12373575 0.90 S1PR1 (0.54) S1PR1ADAMTS4MMP13P2RX3
SCHEMBL12373523 0.89 KMT2A (0.40) S1PR1MMP13
SCHEMBL12373552 0.87 PGR (0.44) S1PR1PGRTRIM24MAPT
SCHEMBL12373463 0.87 MMP13 (0.41) S1PR1MMP13
SCHEMBL12373593 0.86 S1PR1 (0.46) S1PR1PGRNR3C1
SCHEMBL12373634 0.86 PGR (0.41) S1PR1PGRADAMTS4MMP13
SCHEMBL12373469 0.86 PGR (0.41) S1PR1PGRADAMTS4MMP13MAPT
SCHEMBL12373651 0.85 KDM2B (0.40) S1PR1PGRMMP13P2RX3
SCHEMBL12373517 0.85 S1PR1 (0.44) S1PR1MMP13
SCHEMBL12373647 0.84 SLC22A12 (0.45) S1PR1SCN9A

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 1/4885PGR 1817/4885NR3C1 165/4885

“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.