SCHEMBL14104744

SCHEMBL14104744

COS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.47
▸ PRSS1 P07477 3/20 0.47
▸ PRSS2 P07478 3/20 0.47
▸ PRSS3 P35030 3/20 0.47
▸ CA1 P00915 6/20 0.45
▸ CA2 P00918 6/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ CA9 Q16790 3/20 0.40
▸ PKM P14618 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL777482 0.87 PKM (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL197570 0.80 CA12 (0.46) CA1CA2CA9PKMCA12
SCHEMBL11591200 0.80 CA1 (0.48) F2PRSS1PRSS2PRSS3CA1
Iodomethane SCHEMBL28262975 0.79 GAA (0.52) F2PRSS1PRSS2PRSS3CA1
SCHEMBL27524 0.78 GAA (0.56) F2PRSS1PRSS2PRSS3CA1
SCHEMBL9901122 0.78 GAA (0.56) F2PRSS1PRSS2PRSS3CA1
Ammonia Solution, Strong SCHEMBL5745515 0.76 GAA (0.54) F2PRSS1PRSS2PRSS3CA1
SCHEMBL197599 0.76 ALDH1A1 (0.54) F2PRSS1PRSS2PRSS3CA1
SCHEMBL20531023 0.76 GAA (0.54) F2PRSS1PRSS2PRSS3CA1
SCHEMBL1814235 0.76 TDP1 (0.48) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920098-A Photo-acid generator and synthetic method thereof 华衍化学(上海)有限公司 2021-06-08 — — CN disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 — — EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 — — US disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 — — US disclosed
US-8399684-B2 Sulfonamide-based organocatalysts and method for their use STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2013-03-19 — — US disclosed
US-7410506-B2 Dicationic bis-hydrazone compound, dye composition comprising at least one such compound, implementation process therefor and uses thereof L'OREAL S.A. (FR) 2008-08-12 — — US disclosed
CN-1032011-A Pyrrolo-imidazoles and imidazopyridine and application thereof SMITHKLINE BECKMAN CORP (US) 1989-03-29 — — CN 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-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 F2 563/4885PRSS1 2370/4885PRSS2 2868/4885

“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.

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