SCHEMBL2729682

SCHEMBL2729682

Nc1ccc(CC(=O)O)cc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.50
HSD17B10 Q99714 5/20 0.50
GAA P10253 5/20 0.50
KDM4E B2RXH2 4/20 0.50
TSHR P16473 4/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
HIF1A Q16665 2/20 0.50
NFKB1 P19838 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
RGS12 O14924 1/20 0.50
APEX1 P27695 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
GNAI1 P63096 1/20 0.50
PMP22 Q01453 1/20 0.50
GABRA1 P14867 3/20 0.49
GABRA2 P47869 3/20 0.49
GABRB2 P47870 3/20 0.49

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
SCHEMBL1000171 0.82 GAA (0.55) HPGDHSD17B10GAAKDM4ETSHR
SCHEMBL17926089 0.81 FFAR1 (0.54) POLBHIF1AALDH1A1CA2THRA
SCHEMBL8990620 0.79 PCNA (0.48) HPGDHSD17B10GAAKDM4ETSHR
SCHEMBL7974514 0.79 ALDH1A1 (0.64) HPGDHSD17B10GAAKDM4ETSHR
SCHEMBL16179546 0.78 GAA (0.52) HPGDHSD17B10GAAKDM4ETSHR
SCHEMBL6377974 0.78 GAA (0.68) HPGDHSD17B10GAAKDM4ETSHR
SCHEMBL8510463 0.78 HPGD (0.68) HPGDHSD17B10GAAKDM4ETSHR
SCHEMBL30716576 0.78 HPGD (0.68) HPGDHSD17B10GAAKDM4ETSHR
SCHEMBL2434720 0.77 GAA (0.50) HPGDHSD17B10GAAKDM4ETSHR
SCHEMBL2597844 0.77 CA2 (0.65) HPGDHSD17B10GAAKDM4ETSHR

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
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
EP-3237396-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS Genfit (FR) 2017-11-01 EP disclosed
WO-2016102633-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2016-06-30 WO disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
EP-2632464-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA HPGD 1011/4885HSD17B10 753/4885GAA 2392/4885
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 HPGD 1503/4885HSD17B10 3153/4885GAA 4187/4885

“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.