SCHEMBL671102

SCHEMBL671102

O=C(O)c1cc(Br)cc(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 3/20 0.50
AKR1C1 Q04828 3/20 0.50
AKR1C3 P42330 2/20 0.50
AKR1C4 P17516 1/20 0.50
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
DGAT1 O75907 1/20 0.42
MAP2K1 Q02750 1/20 0.38
KEAP1 Q14145 2/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MYC P01106 1/20 0.37
NR4A1 P22736 1/20 0.37
ALB P02768 1/20 0.36
GPR17 Q13304 1/20 0.36
GPR35 Q9HC97 2/20 0.36

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
SCHEMBL30300276 1.00 AKR1C2 (0.50) AKR1C2AKR1C1AKR1C3AKR1C4HSD17B10
SCHEMBL16098563 0.89 AKR1C3 (0.56) AKR1C2AKR1C1AKR1C3AKR1C4HSD17B10
SCHEMBL5854041 0.83 AKR1C3 (0.61) AKR1C2AKR1C1AKR1C3AKR1C4HSD17B10
SCHEMBL15994788 0.81 DGAT1 (0.60) AKR1C2AKR1C1AKR1C3AKR1C4HSD17B10
SCHEMBL30673278 0.81 AKR1C2 (0.64) AKR1C2AKR1C1AKR1C3AKR1C4HSD17B10
SCHEMBL25340705 0.81 AKR1C3 (0.53) AKR1C2AKR1C1AKR1C3AKR1C4HSD17B10
SCHEMBL1516725 0.81 AKR1C2 (0.64) AKR1C2AKR1C1AKR1C3AKR1C4HSD17B10
SCHEMBL20076066 0.81 AKR1C3 (0.48) AKR1C2AKR1C1AKR1C3AKR1C4HSD17B10
SCHEMBL16461500 0.81 CES2 (0.42) AKR1C2AKR1C1AKR1C3AKR1C4HSD17B10
SCHEMBL30431884 0.81 AKR1C3 (0.48) AKR1C2AKR1C1AKR1C3AKR1C4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737457-A1 POLYSUBSTITUTED MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2026-05-06 EP disclosed
WO-2025002297-A1 POLYSUBSTITUTED MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳信立泰药业股份有限公司 2025-01-02 WO disclosed
US-20240390350-A1 PHENYL CORE COMPOUNDS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2024-11-28 US disclosed
CN-118234718-A Phenyl core compounds as MGLU5 negative allosteric modulators and methods of making and using the same 范德比尔特大学 2024-06-21 CN disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023043823-A1 PHENYL CORE COMPOUNDS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2023-03-23 WO disclosed
US-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII 2022-09-15 US disclosed
WO-2021016333-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2021-01-28 WO disclosed
EP-3101013-B1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-10-21 EP disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 US disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 US disclosed
EP-2606050-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS Cellzome Limited (GB) 2013-06-26 EP disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
WO-2013006485-A1 FUSED BENZOXAZEPINONES AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2012022681-A2 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS SELECTIVE JAK INHIBITORS CELLZOME LIMITED (GB) 2012-02-23 WO disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 AKR1C2 1023/4885AKR1C1 997/4885AKR1C3 722/4885
US-20240390350-A1 PHENYL CORE COMPOUNDS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 AKR1C2 4678/4885AKR1C1 4730/4885AKR1C3 4687/4885
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 AKR1C2 3312/4885AKR1C1 2431/4885AKR1C3 2266/4885
US-20220289720-A1 ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS STAT3, JAK2, STAT6 AKR1C2 4188/4885AKR1C1 4457/4885AKR1C3 4351/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 AKR1C2 1023/4885AKR1C1 997/4885AKR1C3 722/4885

“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.