SCHEMBL6977142

SCHEMBL6977142

N/C(=N\O)c1ccc(F)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.42
SIRT5 Q9NXA8 1/20 0.41
RECQL P46063 1/20 0.39
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
CYP3A4 P08684 1/20 0.37
KEAP1 Q14145 1/20 0.37
ANPEP P15144 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2224340 1.00 KDM1A (0.42) KDM1ASIRT5RECQLCES2CES1
SCHEMBL2224336 1.00 KDM1A (0.42) KDM1ASIRT5RECQLCES2CES1
SCHEMBL19014876 0.86 KDM1A (0.42) KDM1ARECQLCES2CES1KEAP1
SCHEMBL9902629 0.86 KDM1A (0.42) KDM1ARECQLCES2CES1KEAP1
SCHEMBL2581290 0.82 PARP1 (0.47) SIRT5RECQLCES2CES1CYP3A4
SCHEMBL2777533 0.81 RECQL (0.45) KDM1ARECQLKDM4EHSD17B10L3MBTL1
SCHEMBL9968900 0.81 RECQL (0.45) KDM1ARECQLKDM4EHSD17B10L3MBTL1
SCHEMBL2777532 0.81 RECQL (0.45) KDM1ARECQLKDM4EHSD17B10L3MBTL1
SCHEMBL336060 0.79 KDM4E (0.52) SIRT5CES2CES1CYP3A4KDM4E
SCHEMBL20944651 0.79 ASPH (0.41) RECQLCES2KDM4EASPHHSD17B10

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
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (4 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY KDM1A 2356/4885SIRT5 2369/4885RECQL 231/4885
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 KDM1A 4222/4885SIRT5 1770/4885RECQL 4387/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 KDM1A 4222/4885SIRT5 1770/4885RECQL 4387/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY KDM1A 2356/4885SIRT5 2369/4885RECQL 231/4885

“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.