SCHEMBL6606616

SCHEMBL6606616

COC(=O)C(=O)c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.65
CES1 P23141 2/20 0.65
GAA P10253 1/20 0.55
PKM P14618 1/20 0.54
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.46
PTPN1 P18031 1/20 0.46
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
BCHE P06276 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL31355013 1.00 CES2 (0.65) CES2CES1GAAPKMNPC1
SCHEMBL12157631 0.81 ALDH1A1 (0.52) CES2CES1GAAPKMNPC1
SCHEMBL2156696 0.80 CES2 (1.00) CES2CES1GAANPC1SMN1; SMN2
SCHEMBL28290973 0.80 CES2 (0.65) CES2CES1GAAPKMNPC1
SCHEMBL2498608 0.79 CES2 (0.59) CES2CES1GAANPC1SMN1; SMN2
SCHEMBL513707 0.79 KMT2A (0.67) CES2CES1GAANPC1SMN1; SMN2
SCHEMBL29930913 0.79 KMT2A (0.67) CES2CES1GAANPC1SMN1; SMN2
SCHEMBL29058653 0.79 CYP11B1 (0.52) CES2CES1GAAPKMNPC1
SCHEMBL2705722 0.78 NPC1 (0.49) NPC1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6747775 0.78 LMNA (0.64) GAANPC1SMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250367143-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARM INC (US) 2025-12-04 US disclosed
US-20250367158-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARM INC (US) 2025-12-04 US disclosed
EP-4543848-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2025-04-30 EP disclosed
EP-4543857-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2025-04-30 EP disclosed
WO-2023250060-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. (US) 2023-12-28 WO disclosed
WO-2023250059-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. (US) 2023-12-28 WO disclosed
US-20230144828-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND USE THEREOF SHANGHAI INNOFORTUNE BOITECH CO. LTD. (CN) 2023-05-11 US disclosed
US-20230144828-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND USE THEREOF SHANGHAI INNOFORTUNE BOITECH CO. LTD. (CN) 2023-05-11 US disclosed
EP-4140984-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND USE THEREOF Shanghai Innofortune Boitech Co., Ltd. (CN) 2023-03-01 EP disclosed
WO-2021213538-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND USE THEREOF 上海英诺富成生物科技有限公司 (CN) 2021-10-28 WO disclosed
US-6034131-A FUGICIDE, PESTICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-03-07 US disclosed
US-5994359-A PESTICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-30 US disclosed
EP-0885187-A1 DIPHENYLETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION, AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
EP-0876351-A1 2-PYRAZOLYL OXYPHENYL ACETIC ACID DERIVATIVES, AGENTS CONTAINING THEM AND THEIR USE FOR COMBATTING DAMAGING FUNGI AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
US-5750540-A SIDE EFFECT REDUCTION BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0823423-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
WO-1997032842-A1 DIPHENYLETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION, AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-09-12 WO disclosed
WO-1997024317-A1 IMINO OXYPHENYL ACETIC ACID DERIVATIVES, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1997-07-10 WO disclosed
WO-1997024332-A1 2-PYRAZOLYL OXYPHENYL ACETIC ACID DERIVATIVES, AGENTS CONTAINING THEM AND THEIR USE FOR COMBATTING DAMAGING FUNGI AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-07-10 WO disclosed
EP-0386940-A1 6-Beta-(alpha-etherified oxymino)-acyl amino penicillins BEECHAM GROUP PLC (GB) 1990-09-12 EP 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-20250367143-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR84, GPR68 CES2 1740/4885CES1 4044/4885GAA 219/4885
US-20250367158-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR68, HTR2A CES2 2175/4885CES1 4236/4885GAA 206/4885
US-20230144828-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONIST AND USE THEREOF GNRHR, GHRHR, LHCGR CES2 3368/4885CES1 1850/4885GAA 1074/4885

“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.