SCHEMBL12373629

SCHEMBL12373629

CCn1c(C(C)NS(=O)(=O)CC(c2ccccc2)c2ccccc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
FFAR1 O14842 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
P2RX3 P56373 4/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL12373491 0.89 PTGS1 (0.36) MEN1KMT2AFFAR1P2RX3HTT
SCHEMBL12373518 0.88 ALDH1A1 (0.45) MEN1KMT2AMMP2MMP9P2RX3
SCHEMBL12373577 0.86 FFAR1 (0.47) FFAR1MMP2MMP9HTTSMN1; SMN2
SCHEMBL12373463 0.85 MMP13 (0.41) FFAR1MMP9SMN1; SMN2MMP13ALDH1A1
SCHEMBL12373498 0.85 P2RX3 (0.35) MMP2MMP9P2RX3ALDH1A1CYP1A2
SCHEMBL12373517 0.83 S1PR1 (0.44) KMT2AFFAR1MMP13ALDH1A1CYP2C19
SCHEMBL12373520 0.83 CASP1 (0.39) MEN1KMT2AFFAR1NPSR1P2RX3
SCHEMBL12373708 0.83 KDM4E (0.39) P2RX3ALDH1A1HPGDPTGS1MAPT
SCHEMBL12373539 0.82 ADAMTS4 (0.43) FFAR1MMP2MMP9MMP13ALDH1A1
SCHEMBL12373699 0.82 P2RX3 (0.39) MEN1KMT2AMMP2MMP9P2RX3

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 MEN1 1204/4885KMT2A 3906/4885FFAR1 52/4885

“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.