SCHEMBL2224448

SCHEMBL2224448

CC1(C)CCc2cc(C(=O)CBr)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.45
GNB1 P62873 1/20 0.45
KDM1A O60341 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP26A1 O43174 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
GRM1 Q13255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
GSK3B P49841 4/20 0.42
PTPN1 P18031 3/20 0.41
RXRA P19793 5/20 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
SCHEMBL2223215 0.91 GNG2 (0.52) GNG2GNB1KDM1ACYP3A4CYP26A1
SCHEMBL14817238 0.86 KDM1A (0.44) KDM1ACYP3A4CYP26A1CYP26B1KDM4E
SCHEMBL12517014 0.85 KDM1A (0.43) KDM1ACYP3A4CYP26A1CYP26B1KDM4E
SCHEMBL1550094 0.83 CYP3A4 (0.59) CYP3A4CYP26A1CYP26B1ALDH1A1MEN1
SCHEMBL12517435 0.82 KDM1A (0.42) KDM1ACYP3A4CYP26A1CYP26B1KDM4E
SCHEMBL12620614 0.81 GNG2 (0.48) GNG2GNB1KDM1AKDM4EMAPT
SCHEMBL12516220 0.81 MAPT (0.53) KDM1ACYP3A4CYP26A1KDM4EMAPT
SCHEMBL12620617 0.81 GNG2 (0.53) GNG2GNB1KDM1ACYP3A4CYP26A1
SCHEMBL15927508 0.78 GSK3B (0.47) GNG2GNB1GSK3BPTPN1
SCHEMBL15927500 0.77 PTPN1 (0.52) GNG2GNB1MAPTALDH1A1TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2513066-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 EP disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO disclosed
WO-2011082732-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-07-14 WO 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-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 GNG2 79/4885GNB1 227/4885KDM1A 3960/4885

“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.