SCHEMBL499997

SCHEMBL499997

O=C(O)c1c(F)cccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
ALB P02768 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HTT P42858 1/20 0.43
TTR P02766 1/20 0.42
PLAU P00749 1/20 0.42
ELANE P08246 1/20 0.42
PRNP P04156 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL260553 0.84 CES2 (0.67) CES2CES1TDP1LMNAALB
SCHEMBL570378 0.84 CA12 (0.52) TDP1LMNACA12CA1CA2
Hydrochloric Acid SCHEMBL7968059 0.81 CES2 (0.64) CES2CES1TDP1LMNAALB
SCHEMBL3117223 0.81 CES2 (0.64) CES2CES1TDP1LMNAALB
SCHEMBL4119544 0.81 CES2 (0.52) CES2CES1TDP1LMNAHTT
SCHEMBL15809161 0.81 CES2 (0.52) CES2CES1TDP1LMNAHTT
SCHEMBL31384796 0.81 CES2 (0.52) CES2CES1TDP1LMNAHTT
SCHEMBL30116840 0.81 CES2 (0.52) CES2CES1TDP1LMNAHTT
SCHEMBL9003690 0.81 CES2 (0.52) CES2CES1TDP1LMNAHTT
SCHEMBL31298356 0.78 CES2 (0.48) CES2CES1TDP1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410106-A Benzamide HBV capsid protein inhibitor and preparation method and application thereof 潍坊医学院 2023-07-11 CN claimed
CN-115677545-A anti-HBV sulfanilamide benzamide derivative and preparation method and application thereof 潍坊医学院 2023-02-03 CN claimed
CN-114181076-A Preparation method of 2, 6-dihalogenated methyl benzoate 维思普新材料(苏州)有限公司 2022-03-15 CN claimed
CN-102795993-B Preparation method of 2-bromo-6-fluorobenzoic acid UNIV CHANGZHOU 2014-08-13 CN claimed
CN-102795993-A Preparation method of 2-bromo-6-fluorobenzoic acid UNIV CHANGZHOU 2012-11-28 CN claimed
US-12570988-B2 Aptamers that bind thiamine analogs and derivatives MeiraGTx Gene Regulation Limited (GB) 2026-03-10 US disclosed
US-20250382312-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF BORAH INC (US) 2025-12-18 US disclosed
US-12459899-B2 Isoquinolinone derivatives, method for preparing the same, and pharmaceutical composition for preventing or treating poly(ADP-ribose) polymerase-1-related diseases, comprising the same as active ingredient DIGMBIO, Inc. (KR) 2025-11-04 US disclosed
EP-3487836-B1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF UNIV COLUMBIA (US) 2025-10-22 EP disclosed
US-20250313549-A1 HERBICIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-10-09 US disclosed
US-12404286-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof BORAH, INC. (US) 2025-09-02 US disclosed
US-20250236612-A1 RAPIDLY ACCELERATING FIBROSARCOMA PROTEIN DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2025-07-24 US disclosed
EP-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
US-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 WO disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
WO-2003026657-A1 COMPOUNDS FOR THE TREATMENT OF PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO disclosed
WO-2003026667-A1 QUINAZOLINO- AND QUINOLINO- GUANIDINES AS LIGANDS FOR THE NEUROP EPTIDE FF (NPFF) RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO disclosed
CN-1103866-A Nes pesticides RHONE POULENC AGRICULTURE (GB) 1995-06-21 CN disclosed
EP-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 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 (8 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-20250382312-A1 BORON CONTAINING PYRAZOLE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF JAK3, JAK1, JAK2 CES2 4765/4885CES1 3747/4885TDP1 1739/4885
US-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 CES2 1243/4885CES1 3665/4885TDP1 2935/4885
US-12459899-B2 Isoquinolinone derivatives, method for preparing the same, and pharmaceutical composition for preventing or treating poly(ADP-ribose) polymerase-1-related diseases, comprising the same as active ingredient PARP1, PARP2, PARP11 CES2 4723/4885CES1 3361/4885TDP1 52/4885
US-20250236612-A1 RAPIDLY ACCELERATING FIBROSARCOMA PROTEIN DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE CRBN, RBX1, ARAF CES2 3299/4885CES1 2712/4885TDP1 1696/4885
US-20250313549-A1 HERBICIDAL DERIVATIVES DDT, CYP1B1, CYP1A1 CES2 70/4885CES1 96/4885TDP1 1511/4885
US-12404286-B2 Boron containing pyrazole compounds, compositions comprising them, methods and uses thereof JAK3, JAK1, JAK2 CES2 4765/4885CES1 3747/4885TDP1 1739/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 CES2 855/4885CES1 1364/4885TDP1 4286/4885
US-12570988-B2 Aptamers that bind thiamine analogs and derivatives SLC19A2, TPX2, YBX1 CES2 4031/4885CES1 1913/4885TDP1 88/4885

“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.