SCHEMBL505097

SCHEMBL505097

N#Cc1cc(F)cc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.53
CES2 O00748 1/20 0.46
CES1 P23141 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
Hydrochloric Acid SCHEMBL6524503 0.98 HCAR1 (0.52) HCAR1CES2CES1
SCHEMBL2511327 0.85 MRGPRX4 (0.45)
SCHEMBL2170685 0.85 MRGPRX4 (0.49)
SCHEMBL2825638 0.82 PARP1 (0.46) CES2CES1
SCHEMBL1764880 0.82 VNN1 (0.46)
SCHEMBL10596241 0.82 CES2 (0.45) CES2CES1
SCHEMBL5222697 0.82 CES2 (0.45) CES2CES1
SCHEMBL1659915 0.80 VNN1 (0.45)
SCHEMBL2768367 0.80 HCAR1 (0.53) HCAR1CES2CES1
SCHEMBL23384719 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
US-20090130726-A1 PROCESS FOR CONVERTING AROMATIC HALO-SUBSTITUTED DINITRILES INTO HALO-SUBSTITUTED CYANOCARBOXYLIC ACIDS ASTRAZENECA AB (SE) 2009-05-21 US claimed
CN-101268197-A New process for converting aromatic halo-substituted dinitriles into halo-substituted cyanocarboxylic acids ASTRAZENECA AB (SE) 2008-09-17 CN claimed
EP-1929026-A1 NEW PROCESS FOR CONVERTING AROMATIC HALO-SUBSTITUTED DINITRILES INTO HALO-SUBSTITUTED CYANOCARBOXYLIC ACIDS AstraZeneca AB (SE) 2008-06-11 EP claimed
WO-2007035161-A1 NEW PROCESS FOR CONVERTING AROMATIC HALO-SUBSTITUTED DINITRILES INTO HALO-SUBSTITUTED CYANOCARBOXYLIC ACIDS ASTRAZENECA AB (SE) 2007-03-29 WO claimed
EP-3887359-B1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING UNIV COPENHAGEN (DK) 2026-05-06 EP disclosed
US-12610949-B2 Heteroaryl-triazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2026-04-28 US disclosed
CN-115974872-B Azacyclic derivatives, pharmaceutical compositions thereof and uses thereof 南方科技大学 2025-05-02 CN disclosed
US-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US disclosed
CN-119421877-A Substituted heterocyclic compounds as HSET inhibitors 默克专利股份公司 2025-02-11 CN disclosed
EP-4463444-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2024-11-20 EP disclosed
US-20240300965-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-12 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
CN-1379775-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (US) 2002-11-13 CN disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 WO disclosed
EP-1210344-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-06-05 EP disclosed
WO-2001012627-A1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2001-02-22 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 (4 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-12610949-B2 Heteroaryl-triazole compounds as pesticides CTRL, PTMS, DDT HCAR1 3369/4885CES2 694/4885CES1 402/4885
US-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI HCAR1 649/4885CES2 3626/4885CES1 872/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 HCAR1 65/4885CES2 1108/4885CES1 2945/4885
US-20240300965-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B HCAR1 856/4885CES2 906/4885CES1 303/4885

“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.