SCHEMBL12373466

SCHEMBL12373466

CCn1c(C(C)NS(=O)(=O)c2ccccc2Br)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CASP1 P29466 2/20 0.38
RECQL P46063 2/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MMP13 P45452 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
FFAR1 O14842 1/20 0.33
P2RX3 P56373 1/20 0.33
MAPT P10636 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
SCHEMBL12373520 0.90 CASP1 (0.39) POLBCASP1MEN1KMT2ALMNA
SCHEMBL12373501 0.89 CYP1A2 (0.41) POLBCASP1MEN1KMT2AMMP13
SCHEMBL12373642 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1LMNACYP3A4
SCHEMBL12373646 0.89 CNR1 (0.35) CASP1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL12373704 0.89 CASP1 (0.45) CASP1SMN1; SMN2
SCHEMBL12373547 0.89 PGR (0.40) CASP1MEN1KMT2AALDH1A1P2RX3
SCHEMBL12373591 0.89 ALDH1A1 (0.38) CASP1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL12373668 0.87 KMT2A (0.36) CASP1MEN1KMT2AMAPT
SCHEMBL12373463 0.87 MMP13 (0.41) MMP13ALDH1A1MMP9FFAR1SMN1; SMN2
SCHEMBL12373700 0.87 FEN1 (0.39) CASP1MEN1KMT2A

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 POLB 4129/4885CASP1 1552/4885RECQL 4242/4885

“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.