SCHEMBL12373701

SCHEMBL12373701

CCn1c(C(C)NS(=O)(=O)c2ccc(Oc3ccncc3)cc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
P2RX3 P56373 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP13 P45452 2/20 0.39
ADAMTS4 O75173 1/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38
MMP1 P03956 1/20 0.38

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 0.94 S1PR1 (0.44) S1PR1CYP2C19CYP2D6KMT2AMMP13
SCHEMBL12373577 0.92 FFAR1 (0.47) S1PR1CYP2C19MMP13ADAMTS4FFAR1
SCHEMBL4119410 0.91 CNR1 (0.47) S1PR1POLBMMP13ALDH1A1CNR1
SCHEMBL12373499 0.90 S1PR1 (0.41) S1PR1KMT2AMMP13CNR1
SCHEMBL12373463 0.90 MMP13 (0.41) S1PR1MMP13FFAR1ALDH1A1CNR1
SCHEMBL12373493 0.89 S1PR1 (0.41) S1PR1P2RX3MMP13ALDH1A1CNR1
SCHEMBL12373509 0.89 S1PR1 (0.41) S1PR1CYP2C19CYP2D6KMT2AMMP13
SCHEMBL12373473 0.89 S1PR1 (0.53) S1PR1CYP2C19CYP2D6POLBKMT2A
SCHEMBL12373464 0.89 KDM4E (0.41) S1PR1KMT2AMMP13ALDH1A1CNR1
SCHEMBL12373495 0.89 S1PR1 (0.43) S1PR1ADAMTS4CNR1

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 1/4885CYP2C19 3489/4885CYP2D6 3281/4885

“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.