SCHEMBL4063910

SCHEMBL4063910

CCCC[Sn](CCCC)(CCCC)C1=CC(=O)OC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 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
SCHEMBL5877692 0.70 ALOX5 (0.30)
SCHEMBL10414450 0.69
SCHEMBL895316 0.68 ALDH1A1 (0.32)
SCHEMBL28847273 0.68
SCHEMBL3875145 0.67
SCHEMBL7303716 0.66 HIF1A (0.43) CA1CA9
SCHEMBL7295070 0.66 HIF1A (0.43) CA1CA9
SCHEMBL14688938 0.64
SCHEMBL3025671 0.64 MAPT (0.43) CA1CA9
SCHEMBL18845026 0.63

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114933624-B Artificial synthesis method of natural product (+) -digitonin 大连理工大学 2024-02-20 CN claimed
CN-114933624-B Artificial synthesis method of natural product (+) -digitonin 大连理工大学 2024-02-20 CN disclosed
EP-3497101-B1 SUBSTITUTED 2-HETEROCYCLYL IMIDAZOLYL-CARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-12-30 EP disclosed
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-05-26 US disclosed
EP-3497101-A1 SUBSTITUTED 2-HETEROCYCLYL IMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-06-19 EP disclosed
US-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-06 US disclosed
WO-2018029102-A1 SUBSTITUTED 2-HETEROCYCLYL IMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-15 WO disclosed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP disclosed
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors ANTHONY NEVILLE J (US) 2005-08-11 US disclosed
US-6921759-B2 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2005-07-26 US disclosed
EP-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
US-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. 2003-03-20 US disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 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 (4 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-20030055071-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA CA1 4034/4885CA9 1788/4885
US-20190166837-A1 SUBSTITUTED 2-HETEROCYCLYLIMIDAZOLYLCARBOXAMIDES AS PESTICIDES DDT, PTMS, TSNAX CA1 1184/4885CA9 1205/4885
US-20050176718-A1 Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors POLI, DUT, NAAA CA1 4034/4885CA9 1788/4885
US-10660333-B2 Substituted 2-heterocyclylimidazolylcarboxamides as pesticides DDT, PTMS, TSNAX CA1 1184/4885CA9 1205/4885

“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.