SCHEMBL12373720

SCHEMBL12373720

CCn1c(C(C)NS(=O)(=O)c2cccc3nonc23)cnc1Oc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
KMT2A Q03164 6/20 0.44
HTT P42858 2/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL12373476 0.86 NPBWR1 (0.35) ALDH1A1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL12373715 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AHTTTP53MAPT
SCHEMBL12373533 0.85 KMT2A (0.39) ALDH1A1KMT2AHTTGLAMAPK1
SCHEMBL12373520 0.84 CASP1 (0.39) KMT2AMAPTSMN1; SMN2MEN1POLB
SCHEMBL12373501 0.83 CYP1A2 (0.41) ALDH1A1KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL12373544 0.82 PGR (0.41)
SCHEMBL12373551 0.82 CCR4 (0.39)
SCHEMBL12373511 0.82 PGR (0.42)
SCHEMBL12373591 0.82 ALDH1A1 (0.38) ALDH1A1KMT2ATP53SMN1; SMN2MEN1
SCHEMBL12373547 0.82 PGR (0.40) ALDH1A1KMT2AMEN1

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 ALDH1A1 2969/4885KMT2A 3906/4885HTT 4589/4885

“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.