SCHEMBL495841

SCHEMBL495841

CC(C)(C)c1ccc(C(=O)O)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.60
EPHX2 P34913 2/20 0.60
TDP1 Q9NUW8 1/20 0.56
RXRB P28702 1/20 0.47
ESRRG P62508 1/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SRD5A2 P31213 1/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 1/20 0.44
AKR1C3 P42330 1/20 0.43
DHODH Q02127 1/20 0.43
GAA P10253 1/20 0.43
USP2 O75604 1/20 0.42
CYP2C19 P33261 1/20 0.42
RARB P10826 2/20 0.42
NOTUM Q6P988 1/20 0.42
RARA P10276 1/20 0.42

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
SCHEMBL14645907 0.87 NR1H4 (0.51) NR1H4EPHX2TDP1RXRBESRRG
SCHEMBL22388771 0.86 NR1H4 (0.58) NR1H4EPHX2TDP1RXRBESRRG
SCHEMBL12203036 0.85 TDP1 (0.56) NR1H4EPHX2TDP1RXRBKDM4E
SCHEMBL26804966 0.85 NR1H4 (0.46) NR1H4EPHX2TDP1ESRRGALDH1A1
SCHEMBL18130727 0.84 NR1H4 (0.49) NR1H4EPHX2TDP1RXRBESRRG
SCHEMBL18130731 0.83 ALDH1A1 (0.47) NR1H4EPHX2TDP1ESRRGALDH1A1
SCHEMBL495839 0.83 DGAT1 (0.55) NR1H4EPHX2TDP1ESRRGALDH1A1
SCHEMBL283914 0.82 KDM4E (0.65) NR1H4EPHX2RXRBKDM4EALDH1A1
SCHEMBL19657820 0.82 NR1H4 (0.51) NR1H4EPHX2TDP1RXRBESRRG
SCHEMBL31528338 0.82 TDP1 (0.71) NR1H4EPHX2TDP1RXRBKDM4E

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585628-B Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-26 CN disclosed
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 CN disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
US-20180194799-A1 BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-07-12 US disclosed
US-20180194799-A1 BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-07-12 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed
WO-2007039142-A1 C (2) -HETEROARYLMETHYL-C (4) -METHOXYMETHYL ACYL PYRROLIDINE COMPOUNDS AND THEIR USE FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITIS C VIRUS GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
WO-2007039143-A1 C (2) -HETEROARYLMETHYL-C (4) -PYRAZIN-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USER FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITICS C (HCV) GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
WO-2007039142-A1 C (2) -HETEROARYLMETHYL-C (4) -METHOXYMETHYL ACYL PYRROLIDINE COMPOUNDS AND THEIR USE FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITIS C VIRUS GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
WO-2007039143-A1 C (2) -HETEROARYLMETHYL-C (4) -PYRAZIN-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USER FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITICS C (HCV) GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
WO-2007039145-A1 C (2) -HETEROARYLMETHYL-C (4) -PYRAZINYL-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USE FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITIS C VIRUS GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
WO-2007039145-A1 C (2) -HETEROARYLMETHYL-C (4) -PYRAZINYL-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USE FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITIS C VIRUS GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
WO-2007039144-A1 PYRROLIDINE DERIVATIVES FOR TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2007-04-12 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 (5 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK NR1H4 4173/4885EPHX2 2317/4885TDP1 334/4885
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B NR1H4 89/4885EPHX2 3338/4885TDP1 4655/4885
US-20180194799-A1 BETUIN DERIVATIVES FOR PREVENTING OR TREATING HIV INFECTIONS BET1, PGGT1B, RABGGTB NR1H4 1009/4885EPHX2 3545/4885TDP1 2918/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 NR1H4 2025/4885EPHX2 2325/4885TDP1 2716/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK NR1H4 4173/4885EPHX2 2317/4885TDP1 334/4885

“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.