SCHEMBL364906

SCHEMBL364906

COC(=O)c1ccc(OBOc2ccc(C(=O)OC)c(F)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 8/20 0.45
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
NR4A2 P43354 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 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
SCHEMBL14920298 0.87 ALDH1A1 (0.44) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL1554929 0.84 CPS1 (0.61) CPS1ALDH1A1KMT2ACA1CA2
SCHEMBL4953797 0.83 MAOB (0.55) CPS1ALDH1A1HPGDMAOB
SCHEMBL15920708 0.83 CA12 (0.46) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL516908 0.81 KDM4E (0.45) ALDH1A1CA12CA1CA2CA7
SCHEMBL3193171 0.81 RARB (0.43) CPS1ALDH1A1KDM4EMAOB
SCHEMBL20644248 0.80 CFTR (0.46) CPS1ALDH1A1KMT2ACA12CA1
SCHEMBL517002 0.80 KMT2A (0.54) ALDH1A1KMT2ANR4A2KDM4EGAA
SCHEMBL12493428 0.80 ALDH1A1 (0.53) CPS1ALDH1A1KMT2ACA12CA1
SCHEMBL516293 0.80 ABL1 (0.46) ALDH1A1KMT2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed
CN-112812114-B Isoxazole derivative, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-05-28 CN disclosed
CN-111886233-B Triazolone derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-01-02 CN disclosed
CN-116891457-A Chimeric compound for androgen receptor protein targeted degradation, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-10-17 CN disclosed
CN-115819417-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2023-03-21 CN disclosed
CN-109923114-B Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2022-11-01 CN disclosed
CN-108558871-B Tricyclic compounds as anticancer agents 百时美施贵宝公司 2022-02-18 CN disclosed
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN disclosed
CN-112812114-A Isoxazole derivative, pharmaceutical composition containing isoxazole derivative, and preparation method and application of isoxazole derivative 四川科伦博泰生物医药股份有限公司 2021-05-18 CN disclosed
CN-107405337-B Substituted chromans and methods of use 艾伯维公司 2021-02-09 CN disclosed
EP-1608619-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
EP-1608617-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2005009941-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-02-03 WO disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 US disclosed
WO-2004094363-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
WO-2004094382-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 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 (1 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-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 CPS1 3121/4885ALDH1A1 251/4885KMT2A 917/4885

“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.