SCHEMBL12373668

SCHEMBL12373668

CCn1c(C(C)NS(=O)(=O)c2ccc(F)cc2Br)cnc1Oc1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 8/20 0.35
S1PR3 Q99500 1/20 0.35
CNR1 P21554 1/20 0.34
METAP2 P50579 2/20 0.33
HTT P42858 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MEN1 O00255 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CASP1 P29466 1/20 0.32

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
SCHEMBL12373584 0.91 KAT6A (0.40) TP53MAPTS1PR1S1PR3CNR1
SCHEMBL12373646 0.91 CNR1 (0.35) KMT2AMAPTS1PR1S1PR3CNR1
SCHEMBL12373677 0.91 NR3C1 (0.36) KMT2ATP53MAPTS1PR1S1PR3
SCHEMBL12373589 0.89 S1PR1 (0.40) TP53MAPTS1PR1S1PR3CNR1
SCHEMBL12373565 0.89 TRIM24 (0.40) KMT2ATP53MAPTS1PR1S1PR3
SCHEMBL12373611 0.89 KAT6A (0.40) KMT2ATP53MAPTS1PR1S1PR3
SCHEMBL12373674 0.89 S1PR1 (0.45) S1PR1
SCHEMBL12373694 0.88 S1PR1 (0.39) KMT2ATP53MAPTS1PR1S1PR3
SCHEMBL12373554 0.88 NR3C1 (0.39) S1PR1S1PR3CNR1
SCHEMBL12373621 0.88 NMT1 (0.39) KMT2AMAPTS1PR1S1PR3CNR1

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 KMT2A 3906/4885TP53 4743/4885MAPT 3475/4885

“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.