SCHEMBL12373772

SCHEMBL12373772

CCn1c(C(C)NS(=O)(=O)c2ccc(N3CCOCC3)nc2)cnc1Oc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.42
S1PR1 P21453 2/20 0.40
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
MLNR O43193 1/20 0.38
PKM P14618 1/20 0.38
IRS1 P35568 1/20 0.38

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
SCHEMBL12373737 0.86 ALDH1A1 (0.47) MEN1KMT2AGAAKDM4ESMN1; SMN2
SCHEMBL12373517 0.85 S1PR1 (0.44) KMT2AALDH1A1S1PR1CYP2C19
SCHEMBL12373740 0.82 MMP2 (0.49) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL4119410 0.82 CNR1 (0.47) ALDH1A1S1PR1
SCHEMBL12373577 0.81 FFAR1 (0.47) KDM4ESMN1; SMN2ALDH1A1S1PR1CYP1A2
SCHEMBL12373499 0.81 S1PR1 (0.41) KMT2AS1PR1
SCHEMBL12161576 0.81 S1PR1 (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL12373463 0.81 MMP13 (0.41) SMN1; SMN2ALDH1A1S1PR1
SCHEMBL12373712 0.80 ALDH1A1 (0.49) MEN1KMT2AGAAKDM4ESMN1; SMN2
SCHEMBL12373464 0.80 KDM4E (0.41) KMT2AKDM4EALDH1A1S1PR1

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 3906/4885GAA 4428/4885

“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.