SCHEMBL12373752

SCHEMBL12373752

CCn1c(C(C)NS(=O)(=O)c2cccc(C(=O)c3ccncc3)c2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
AKR1C3 P42330 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
P2RX3 P56373 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
VNN1 O95497 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34

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
SCHEMBL12373743 0.89 SMN1; SMN2 (0.41) KMT2APOLBRAB9AAKR1C3ALDH1A1
SCHEMBL12373523 0.85 KMT2A (0.40) KMT2AALDH1A1LMNAHTTMMP13
SCHEMBL12373552 0.84 PGR (0.44) ALDH1A1MAPTGAA
SCHEMBL12373701 0.84 S1PR1 (0.42) KMT2APOLBMEN1ALDH1A1P2RX3
SCHEMBL12373463 0.83 MMP13 (0.41) ALDH1A1MMP13
SCHEMBL12373651 0.83 KDM2B (0.40) P2RX3MMP13
SCHEMBL12373469 0.83 PGR (0.41) KMT2AMEN1MAPTHTTMMP13
SCHEMBL12373634 0.83 PGR (0.41) NPSR1MMP13
SCHEMBL12373593 0.83 S1PR1 (0.46) KMT2AALDH1A1GAA
SCHEMBL12373769 0.83 S1PR1 (0.45) ALDH1A1LMNA

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 3906/4885POLB 4129/4885MEN1 1204/4885

“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.