SCHEMBL16709745

SCHEMBL16709745

COC(=O)c1ccc(F)c(NC(=O)[C@H](C)N)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.51
LNPEP Q9UIQ6 9/20 0.49
ERAP2 Q6P179 6/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
HTT P42858 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ACLY P53396 1/20 0.44
DPP4 P27487 2/20 0.44
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL15898542 0.84 KDM4E (0.78) KDM4EALDH1A1LMNALNPEPERAP2
SCHEMBL7926073 0.84 KDM4E (0.57) KDM4EALDH1A1LMNALNPEPERAP2
Hydrochloric Acid SCHEMBL1391475 0.83 KDM4E (0.56) KDM4EALDH1A1LMNALNPEPERAP2
Hydrochloric Acid SCHEMBL1391474 0.83 KDM4E (0.56) KDM4EALDH1A1LMNALNPEPERAP2
SCHEMBL28278861 0.82 KDM4E (0.51) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL7925290 0.81 XDH (0.54) KDM4EALDH1A1LMNALNPEPERAP2
SCHEMBL28648134 0.80 ALDH1A1 (0.50) KDM4EALDH1A1LMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL1391619 0.80 XDH (0.53) KDM4EALDH1A1LMNALNPEPERAP2
Hydrochloric Acid SCHEMBL1391618 0.80 XDH (0.53) KDM4EALDH1A1LMNALNPEPERAP2
SCHEMBL16702278 0.78 KMT2A (0.51) KDM4EALDH1A1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD (CN) 2021-08-19 US disclosed
US-11021446-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2021-06-01 US disclosed
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2020-08-06 US disclosed
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2020-06-16 US disclosed
EP-3065738-B1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2018-02-28 EP disclosed
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-09-28 US disclosed
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA THE GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-09-28 US disclosed
US-9682939-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2017-06-20 US disclosed
US-9682939-B2 Compositions and methods for modulating farnesoid X receptors NOVARTIS AG (CH) 2017-06-20 US disclosed
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NOVARTIS AG (CH) 2016-11-24 US disclosed
WO-2015069666-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS IRM LLC (BM) 2015-05-14 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 (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-11021446-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 KDM4E 3954/4885ALDH1A1 2796/4885LMNA 4194/4885
US-20210253534-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 KDM4E 3954/4885ALDH1A1 2796/4885LMNA 4194/4885
US-20200247757-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 KDM4E 3954/4885ALDH1A1 2796/4885LMNA 4194/4885
US-20160340317-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 KDM4E 3954/4885ALDH1A1 2796/4885LMNA 4194/4885
US-20170275256-A1 COMPOSITIONS AND METHODS FOR MODULATING FARNESOID X RECEPTORS NR1H4, GPBAR1, SLC10A1 KDM4E 3954/4885ALDH1A1 2796/4885LMNA 4194/4885
US-10683271-B2 Compositions and methods for modulating farnesoid X receptors NR1H4, GPBAR1, SLC10A1 KDM4E 3954/4885ALDH1A1 2796/4885LMNA 4194/4885

“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.