SCHEMBL5225725

SCHEMBL5225725

NC(C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.50
GRM4 Q14833 2/20 0.50
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
KIF11 P52732 1/20 0.47
ACP3 P15309 1/20 0.47
HSD17B10 Q99714 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
MEN1 O00255 3/20 0.47
CYP2C9 P11712 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
GRM6 O15303 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD3 P35462 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46

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
SCHEMBL11902072 1.00 GRM8 (0.50) GRM8GRM4CES2CES1KIF11
SCHEMBL18125936 1.00 GRM8 (0.50) GRM8GRM4CES2CES1KIF11
SCHEMBL23182220 0.84 CES2 (0.50) GRM8GRM4CES2CES1ACP3
SCHEMBL953432 0.84 CES2 (0.50) GRM8GRM4CES2CES1KIF11
SCHEMBL13527786 0.82 HSD17B10 (0.61) GRM8GRM4HSD17B10TDP1MEN1
SCHEMBL5597212 0.81 PDPK1 (0.49) GRM8GRM4CES2CES1KIF11
SCHEMBL11516733 0.80 NR1H4 (0.47) GRM8GRM4KIF11HSD17B10TDP1
SCHEMBL5018968 0.79 NR1I2 (0.53) GRM8GRM4CES2CES1KIF11
SCHEMBL8430347 0.79 CES2 (0.50) GRM8GRM4CES2CES1KIF11
SCHEMBL4967991 0.79 NR1I2 (0.53) GRM8GRM4CES2CES1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391779-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-12-07 US disclosed
EP-4196480-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-06-21 EP disclosed
CN-115989341-A Method for manufacturing structure with conductive pattern 旭化成株式会社 2023-04-18 CN disclosed
CN-115968113-A Method for manufacturing structure with conductive pattern, kit and system 旭化成株式会社 2023-04-14 CN disclosed
CN-115956080-A Bicyclic compounds, compositions containing them and their use 贝达药业股份有限公司 2023-04-11 CN disclosed
WO-2022085461-A1 METHOD FOR MANUFACTURING CONDUCTIVE PATTERN-PROVIDED STRUCTURE 旭化成株式会社 2022-04-28 WO disclosed
US-20200407395-A1 CHIRAL PEPTIDES RA CAPITAL HEALTHCARE FUND, L.P. 2020-12-31 US disclosed
US-10870678-B2 Chiral peptides ARCUATE THERAPEUTICS, INC. (US) 2020-12-22 US disclosed
WO-2020214518-A1 METHODS OF TREATING RENAL CONDITIONS USING PEPTIDES THAT IMPROVE MITOCHONDRIAL FUNCTION ARCUATE THERAPEUTICS, INC. (US) 2020-10-22 WO disclosed
EP-3668886-A2 TAU AGGREGATION PEPTIDE INHIBITORS Adrx, Inc. (US) 2020-06-24 EP disclosed
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO disclosed
US-4155905-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 US disclosed
US-4077967-A 6-Substituted penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 US 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 (3 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-20230391779-A1 BICYCLIC COMPOUNDS, COMPOSITIONS AND USE THEREOF CYP11B2, CYP11B1, CYP27A1 GRM8 4317/4885GRM4 4253/4885CES2 478/4885
US-20200407395-A1 CHIRAL PEPTIDES IAPP, VIP, NPPA GRM8 2589/4885GRM4 3309/4885CES2 3098/4885
US-10870678-B2 Chiral peptides IAPP, VIP, NPPA GRM8 2589/4885GRM4 3309/4885CES2 3098/4885

“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.