SCHEMBL1115280

SCHEMBL1115280

NC(C(=O)O)c1ccc(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
GRM1 Q13255 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
KEAP1 Q14145 1/20 0.40
KCNN4 O15554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC1A1 P43005 2/20 0.38
KMO O15229 1/20 0.38

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
SCHEMBL29571616 1.00 CES2 (0.50) CES2CES1MEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL20491499 0.98 CES2 (0.49) CES2CES1MEN1CYP1A2KMT2A
SCHEMBL25907635 0.85 CES2 (0.50) CES2CES1MEN1CYP1A2KMT2A
SCHEMBL1115202 0.85 CES2 (0.50) CES2CES1CYP3A4IDO1TDO2
SCHEMBL8073211 0.83 MEN1 (0.59) MEN1CYP1A2KMT2ACYP3A4GRM1
SCHEMBL7395512 0.81 GRM1 (0.65) CES2CES1MEN1CYP1A2KMT2A
Hydrochloric Acid SCHEMBL2894693 0.81 MEN1 (0.57) MEN1CYP1A2KMT2ACYP3A4GRM1
SCHEMBL12737974 0.81 MEN1 (0.49) MEN1CYP1A2KMT2ACYP3A4GRM1
SCHEMBL25932983 0.81 IDO1 (0.44) CES2CES1CYP3A4IDO1TDO2
SCHEMBL22023199 0.80 GRM1 (0.42) MEN1CYP1A2KMT2ACYP3A4GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117326961-B Green synthesis method of non-surafaxin intermediate 安徽峆一药业股份有限公司 2024-05-03 CN disclosed
CN-117326961-B Green synthesis method of non-surafaxin intermediate 安徽峆一药业股份有限公司 2024-05-03 CN disclosed
CN-117326961-A Green synthesis method of non-surafaxin intermediate 安徽峆一药业股份有限公司 2024-01-02 CN disclosed
CN-117326961-A Green synthesis method of non-surafaxin intermediate 安徽峆一药业股份有限公司 2024-01-02 CN disclosed
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-26 US disclosed
US-20230373954-A1 NOVEL ACID SECRETION INHIBITOR AND USE THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-23 US disclosed
US-11767311-B2 Acid secretion inhibitor and use thereof ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-09-26 US disclosed
EP-4219448-A1 METHOD FOR PREPARING A SYNTHETIC INTERMEDIATE OF A 4-METHOXYPYRROLE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2023-08-02 EP disclosed
EP-4219448-A1 METHOD FOR PREPARING A SYNTHETIC INTERMEDIATE OF A 4-METHOXYPYRROLE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2023-08-02 EP disclosed
US-20230192650-A1 NOVEL ACID SECRETION INHIBITOR AND USE THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-06-22 US disclosed
US-20200181080-A1 METHOD FOR PREPARING INTERMEDIATE OF 4-METHOXYPYRROLE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2020-06-11 US disclosed
EP-3642181-A1 METHOD FOR PREPARING INTERMEDIATE OF 4-METHOXYPYRROLE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2020-04-29 EP disclosed
EP-3630722-A1 METHOD FOR PREPARING INTERMEDIATE OF 4-METHOXYPYRROLE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2020-04-08 EP disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 US disclosed
WO-2018236153-A1 METHOD FOR PREPARING INTERMEDIATE OF 4-METHOXYPYRROLE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-12-27 WO disclosed
WO-2018221971-A1 METHOD FOR PREPARING INTERMEDIATE OF 4-METHOXYPYRROLE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-12-06 WO disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 US disclosed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 EP disclosed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 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 (7 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-11767311-B2 Acid secretion inhibitor and use thereof SLC10A2, SLC10A1, ASIC1 CES2 1621/4885CES1 502/4885MEN1 1938/4885
US-20230373954-A1 NOVEL ACID SECRETION INHIBITOR AND USE THEREOF SLC10A2, SLC10A1, ASIC1 CES2 1727/4885CES1 479/4885MEN1 2339/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CES2 4282/4885CES1 4089/4885MEN1 1084/4885
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors RET, BRAF, ROR1 CES2 4282/4885CES1 4089/4885MEN1 1084/4885
US-20110059940-A1 2-Aryl Glycinamide Derivatives IAPP, APP, BACE1 CES2 2407/4885CES1 1809/4885MEN1 2644/4885
US-20200181080-A1 METHOD FOR PREPARING INTERMEDIATE OF 4-METHOXYPYRROLE DERIVATIVE MLN, TYK2, TH CES2 2274/4885CES1 4491/4885MEN1 587/4885
US-20230192650-A1 NOVEL ACID SECRETION INHIBITOR AND USE THEREOF SLC10A2, SLC10A1, ASIC1 CES2 1727/4885CES1 479/4885MEN1 2339/4885

“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.