Sugi Predict

Sugi Predict / Compounds / SCHEMBL2628067

SCHEMBL2628067

SCHEMBL2628067

NC(C(=O)O)c1ccccc1F

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ CES2 O00748 2/20 0.47
▸ CES1 P23141 2/20 0.47
▸ CNR2 P34972 1/20 0.45
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ KCNN4 O15554 1/20 0.42
▸ GRM1 Q13255 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ DPP7 Q9UHL4 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
SCHEMBL29557378 1.00 GAA (0.50) GAACES2CES1CNR2IDO1
SCHEMBL15430213 1.00 GAA (0.50) GAACES2CES1CNR2IDO1
SCHEMBL27967493 1.00 GAA (0.50) GAACES2CES1CNR2IDO1
Hydrochloric Acid SCHEMBL25195986 0.98 GAA (0.49) GAACES2CES1CNR2IDO1
SCHEMBL7920121 0.98 GAA (0.49) GAACES2CES1CNR2IDO1
Hydrochloric Acid SCHEMBL23886485 0.98 GAA (0.49) GAACES2CES1CNR2IDO1
SCHEMBL24044801 0.84 MEN1 (0.48) MEN1CYP1A2KMT2ACYP3A4GRM1
SCHEMBL27966275 0.84 CES2 (0.50) GAACES2CES1CNR2MEN1
Hydrochloric Acid SCHEMBL27841046 0.83 MEN1 (0.41) GAACES2CES1CNR2IDO1
SCHEMBL11214243 0.83 GAA (0.50) GAACES2CES1CNR2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020018839-A1 COMPOUNDS AND METHODS FOR SYNERGISTIC ACTIVATION OF M CHANNELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-01-23 — — WO claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 — — US claimed
CN-115884968-B Novel acid secretion inhibitor and use thereof 日东制药株式会社 2024-06-21 — — 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
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 — — US disclosed
CN-115884968-A Novel acid secretion inhibitor and use thereof 日东制药株式会社 2023-03-31 — — CN disclosed
EP-4126876-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-02-08 — — EP disclosed
CN-110267960-B Substituted pyrazolo [1,5-a ] pyrazine compounds as RET kinase inhibitors 阿雷生物药品公司 2022-04-26 — — CN disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 — — US disclosed
WO-2021256861-A1 NOVEL ACID SECRETION INHIBITOR AND USE THEREOF 일동제약(주) 2021-12-23 — — WO disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 — — EP disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 — — US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 — — US disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 — — EP disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 — — WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 — — WO disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 — — US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 — — EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 — — 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 GAA 3356/4885CES2 4282/4885CES1 4089/4885
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 GAA 1220/4885CES2 67/4885CES1 18/4885
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors RET, BRAF, ROR1 GAA 3356/4885CES2 4282/4885CES1 4089/4885
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM GAA 358/4885CES2 4622/4885CES1 3293/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 GAA 229/4885CES2 244/4885CES1 1/4885

“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.