SCHEMBL433101

SCHEMBL433101

[NH]S(=O)(=O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.33
APLNR P35414 2/20 0.31
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
EPHX2 P34913 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL3178430 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL3187913 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL518873 0.97
SCHEMBL688282 0.90
SCHEMBL362475 0.83
SCHEMBL296484 0.75 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL24629023 0.73 CA1 (0.41) CA1CA12CA7CA14CA2
SCHEMBL547762 0.73 CA1 (0.41) CA1CA12CA7CA14CA2
SCHEMBL3155782 0.73 CA1 (0.41) CA1CA12CA7CA14CA2
SCHEMBL11889594 0.73 CA1 (0.41) CA1CA12CA7CA14CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765780-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US claimed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US claimed
US-7244692-B2 Substituted benzoylcyclohexane diones for use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2007-07-17 US claimed
US-20050054534-A1 Substituted benzoylcyclohexane diones for use as herbicides MULLER KLAUS-HELMUT (DE) 2005-03-10 US claimed
EP-0906291-B1 SUBSTITUTED PHENYL URACILS BAYER CROPSCIENCE AG (DE) 2005-03-09 EP claimed
EP-1244634-B1 SUBSTITUTED BENZOYLCYCLOHEXANE DIONES FOR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-03-17 EP claimed
US-20030119674-A1 Substituted benzoylcyclohexane diones for use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-06-26 US claimed
EP-1244634-A1 SUBSTITUTED BENZOYLCYCLOHEXANE DIONES FOR USE AS HERBICIDES BAYER AG (DE) 2002-10-02 EP claimed
WO-2001047894-A1 SUBSTITUTED BENZOYLCYCLOHEXANE DIONES FOR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 WO claimed
US-6245714-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-12 US claimed
EP-0906291-A1 SUBSTITUTED PHENYL URACILS BAYER AG (DE) 1999-04-07 EP claimed
WO-1997045418-A1 SUBSTITUTED PHENYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-12-04 WO claimed
EP-3957627-B1 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME SHIONOGI & CO (JP) 2024-06-19 EP disclosed
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
EP-3395583-B1 HEAT-SENSITIVE RECORDING MATERIAL NIPPON KAYAKU KK (JP) 2024-03-27 EP disclosed
EP-0441282-B1 Bichromophore methine and azamethine dyestuffs and a process for their transfer BASF AG (DE) 1993-12-15 EP disclosed
US-5214140-A Thermal printing BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5132438-A Thermal transfer BASF AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed
EP-0441282-A1 Bichromophore methine and azamethine dyestuffs and a process for their transfer BASF Aktiengesellschaft (DE) 1991-08-14 EP 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 (2 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-20030119674-A1 Substituted benzoylcyclohexane diones for use as herbicides DDT, CYP1B1, CYP1A1 CA1 884/4885CA12 2084/4885CA7 642/4885
US-20050054534-A1 Substituted benzoylcyclohexane diones for use as herbicides DDT, CYP1B1, CYP1A1 CA1 784/4885CA12 1530/4885CA7 950/4885

“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.