SCHEMBL790041

SCHEMBL790041

NC(=O)c1cc(B(O)O)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
PARP1 P09874 2/20 0.37
PADI4 Q9UM07 1/20 0.36
CASP1 P29466 1/20 0.36
ENPP2 Q13822 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ROCK2 O75116 1/20 0.34
ERN1 O75460 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29951442 0.85 DGAT1 (0.56) DGAT1CES2CES1MAP2K2MAP2K1
SCHEMBL290252 0.85 DGAT1 (0.56) DGAT1CES2CES1MAP2K2MAP2K1
SCHEMBL29825352 0.82 KDM4E (0.44) CES2CES1MAP2K2MAP2K1ENPP2
SCHEMBL733036 0.82 KDM4E (0.44) CES2CES1MAP2K2MAP2K1ENPP2
SCHEMBL3786848 0.82 ENPP2 (0.39) DGAT1ENPP2ALDH1A1CA1CA2
SCHEMBL24137921 0.81 ALDH1A1 (0.48) CES2CES1PADI4ENPP2ALDH1A1
SCHEMBL4847318 0.81 CES2 (0.39) CES2CES1ENPP2CA1CA2
SCHEMBL18434017 0.78 ENPP2 (0.33) PADI4ENPP2ALDH1A1CA1CA2
SCHEMBL1787715 0.77 ALDH1A1 (0.47) CASP1ENPP2ALDH1A1CA1CA2
SCHEMBL237491 0.77 ALDH1A1 (0.43) CASP1ALDH1A1CA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122094932-A Amide substituted cycloalkyl compound, preparation method and medical application thereof 2026-05-26 CN disclosed
EP-4172157-B1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2025-11-19 EP disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
WO-2025077841-A1 AMIDE-SUBSTITUTED CYCLOALKYL COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF 江苏恒瑞医药股份有限公司 2025-04-17 WO disclosed
US-12264147-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2025-04-01 US disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators Bial—R&D Investments, S.A. (PT) 2024-10-15 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-12077537-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2024-09-03 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
WO-2013092791-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2013-06-27 WO disclosed
US-20130165437-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GALAPAGOS NV (BE) 2013-06-27 US disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 US disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US 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 (10 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-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators GBA1, GALC, GBA3 DGAT1 1254/4885CES2 1032/4885CES1 913/4885
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE DGAT1 1013/4885CES2 277/4885CES1 145/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE DGAT1 1013/4885CES2 277/4885CES1 145/4885
US-12264147-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 DGAT1 2190/4885CES2 2017/4885CES1 2193/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE DGAT1 1013/4885CES2 277/4885CES1 145/4885
US-12077537-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 DGAT1 3971/4885CES2 197/4885CES1 1903/4885
US-20130165437-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GPR84, GPR88, GPR65 DGAT1 1315/4885CES2 4879/4885CES1 2814/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 DGAT1 2713/4885CES2 3530/4885CES1 1708/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE DGAT1 1013/4885CES2 277/4885CES1 145/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 DGAT1 693/4885CES2 1642/4885CES1 315/4885

“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.