SCHEMBL1977656

SCHEMBL1977656

Cc1cc(F)cc(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KEAP1 Q14145 1/20 0.44
NOTUM Q6P988 4/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 1/20 0.38
AGBL2 Q5U5Z8 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL27469197 0.89 KDM4E (0.48) KDM4EMEN1KMT2ATDP1KEAP1
SCHEMBL14783984 0.84 MCL1 (0.42) KDM4EMEN1KMT2ATDP1KEAP1
SCHEMBL16277579 0.83 KEAP1 (0.41) KDM4EKEAP1NOTUMCES2CES1
SCHEMBL27303784 0.83 SMN1; SMN2 (0.40) KDM4EMEN1KMT2ACES2CES1
SCHEMBL5857864 0.83 CES2 (0.48) KDM4EMEN1KMT2ATDP1KEAP1
SCHEMBL29657075 0.83 CES2 (0.48) KDM4EMEN1KMT2ATDP1KEAP1
SCHEMBL23302962 0.81 HMGB1 (0.58) KDM4EMEN1KMT2ATDP1KEAP1
SCHEMBL18186580 0.81 HSD17B1 (0.46) KDM4EMEN1KMT2ATDP1KEAP1
SCHEMBL286599 0.79 KDM4E (0.41) KDM4EMEN1KMT2ATDP1KEAP1
SCHEMBL15636696 0.79 KDM4E (0.66) KDM4EMEN1KMT2ATDP1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180332-B1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS EOLAS THERAPEUTICS INC (US) 2021-10-27 EP disclosed
US-10221170-B2 Difluoropyrrolidines as orexin receptor modulators EOLAS THERAPEUTICS, INC. (US) 2019-03-05 US disclosed
US-20170226103-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS NIUVERA BIO, INC. 2017-08-10 US disclosed
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2011-06-16 US disclosed
US-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2009-04-23 US disclosed
WO-2008115281-A2 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INC. (US) 2008-09-25 WO disclosed
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS MYRIAD GENETICS, INCORPORATED (US) 2008-08-28 US disclosed
CN-100384836-C Novel cyclic amide derivative MITSUBISHI PHARMACEUTICALS INC (JP) 2008-04-30 CN disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
CN-1426405-A Novel cyclic amide derivative MITSUBISHI PHARMACEUTICALS INC (JP) 2003-06-25 CN 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 (6 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-10221170-B2 Difluoropyrrolidines as orexin receptor modulators HCRTR2, OPRD1, HCRTR1 KDM4E 1535/4885MEN1 2757/4885KMT2A 1821/4885
US-20090105203-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 KDM4E 3380/4885MEN1 2745/4885KMT2A 3573/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 KDM4E 3921/4885MEN1 3919/4885KMT2A 4574/4885
US-20080207573-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 KDM4E 3380/4885MEN1 2745/4885KMT2A 3573/4885
US-20110144069-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, CCL11 KDM4E 3380/4885MEN1 2745/4885KMT2A 3573/4885
US-20170226103-A1 DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS HCRTR2, OPRD1, HCRTR1 KDM4E 1535/4885MEN1 2757/4885KMT2A 1821/4885

“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.