SCHEMBL851497

SCHEMBL851497

CCc1c(C(=O)O)ccc(OCc2ccccc2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.60
MAPT P10636 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
PTGER1 P34995 2/20 0.54
MAPK1 P28482 1/20 0.53
FOLH1 Q04609 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
MCL1 Q07820 1/20 0.50
POLB P06746 2/20 0.47
EDNRA P25101 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46

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
SCHEMBL2394509 0.88 MAPT (0.56) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL2396534 0.87 MAPT (0.55) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL4403623 0.86 FOLH1 (0.51) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL9540402 0.85 L3MBTL1 (0.67) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL1843333 0.84 CLCN2 (0.55) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL3245118 0.83 CTSV (0.50) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL6286054 0.82 L3MBTL1 (0.81) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL27703867 0.82 L3MBTL1 (0.63) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9
SCHEMBL3701442 0.82 PTGER1 (0.60) L3MBTL1MAPTTDP1PTGER1MAPK1
SCHEMBL24983833 0.79 PTGER1 (0.60) L3MBTL1MAPTTDP1SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349983-B1 DIFLUORPHENYL DIACYLHYDRAZIDE DERIVATES MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
US-8546613-B2 SGK1 inhibitors for the prophylaxis and/or therapy of viral diseases and/or carcinomas MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-8492440-B2 Difluorophenyldiacylhydrazide derivatives MERCK PATENT GMBH (DE) 2013-07-23 US disclosed
EP-2242738-B1 SGK1 INHIBITORS FOR THE PROPHYLAXIS AND/OR THERAPY OF VIRAL DISEASES AND/OR CARCINOMAS MERCK PATENT GMBH (DE) 2012-03-28 EP disclosed
US-20110224302-A1 DIFLUOROPHENYLDIACYLHYDRAZIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-15 US disclosed
EP-2349983-A2 DIFLUORPHENYL DIACYLHYDRAZIDE DERIVATES Merck Patent GmbH (DE) 2011-08-03 EP disclosed
US-20110060050-A1 SGK1 INHIBITORS FOR THE PROPHYLAXIS AND/OR THERAPY OF VIRAL DISEASES AND/OR CARCINOMAS MERCK PATENT GMBH (DE) 2011-03-10 US disclosed
EP-2242738-A1 SGK1 INHIBITORS FOR THE PROPHYLAXIS AND/OR THERAPY OF VIRAL DISEASES AND/OR CARCINOMAS Merck Patent GmbH (DE) 2010-10-27 EP disclosed
WO-2010060522-A2 DIFLUORPHENYL DIACYLHYDRAZIDE DERIVATES MERCK PATENT GMBH (DE) 2010-06-03 WO disclosed
WO-2009103484-A1 SGK1 INHIBITORS FOR THE PROPHYLAXIS AND/OR THERAPY OF VIRAL DISEASES AND/OR CARCINOMAS MERCK PATENT GMBH (DE) 2009-08-27 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 (2 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-20110060050-A1 SGK1 INHIBITORS FOR THE PROPHYLAXIS AND/OR THERAPY OF VIRAL DISEASES AND/OR CARCINOMAS NCOA1, NR3C2, NCOA2 L3MBTL1 2152/4885MAPT 2569/4885TDP1 3849/4885
US-20110224302-A1 DIFLUOROPHENYLDIACYLHYDRAZIDE DERIVATIVES FGFR1, PKD1, AGTR1 L3MBTL1 669/4885MAPT 4485/4885TDP1 1922/4885

“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.