SCHEMBL6308658

SCHEMBL6308658

CCS(=O)(=O)NC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 4/20 0.34
CA7 P43166 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
HPGD P15428 1/20 0.31
CA4 P22748 1/20 0.31
CNR2 P34972 1/20 0.30
RAB9A P51151 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
SCHEMBL13768228 0.81 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1CA1CA7
SCHEMBL424883 0.81 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1CA1CA7
SCHEMBL13020409 0.80 EPHX1 (0.42) ALDH1A1CA1CA7CA14CA2
SCHEMBL10265354 0.76 KDM4E (0.33) ALDH1A1MAPTL3MBTL1CA1CA7
SCHEMBL19627394 0.75 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1CA1CA7
SCHEMBL12880367 0.74 NLRP3 (0.30) ALDH1A1MAPT
SCHEMBL85556 0.74 CYP1A2 (0.35) ALDH1A1MAPTCA1CA7CA14
SCHEMBL16051165 0.74 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1CA1CA7
SCHEMBL92831 0.74 PPARA (0.43) ALDH1A1MAPTL3MBTL1CA1CA7
SCHEMBL24961298 0.73 CA1 (0.34) ALDH1A1MAPTL3MBTL1CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171488-A1 N-aryl-uracils based Herbicides FEUCHT DIETER (DE) 2004-09-02 US claimed
US-6734139-B1 N-aryl-uracile-based herbicides BAYER AKTIENGESELLSCHAFT (DE) 2004-05-11 US claimed
EP-1278413-A2 N-ARYL-URACILE-BASED HERBICIDES Bayer CropScience AG (DE) 2003-01-29 EP claimed
EP-1221848-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES Bayer Aktiengesellschaft (DE) 2002-07-17 EP claimed
WO-2001039597-A2 N-ARYL-URACILE-BASED HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 WO claimed
WO-2001022819-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 WO claimed
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US claimed
WO-1999052906-A1 SUBSTITUTED OXAZOLYLE AND THIAZOLYL URACIL HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO claimed
US-5935907-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-08-10 US claimed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 EP claimed
US-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-01-19 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 US disclosed
US-6841517-B1 Selective herbicides on basis of N-aryl-triazoline(thi)ones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-11 US disclosed
US-20040171488-A1 N-aryl-uracils based Herbicides FEUCHT DIETER (DE) 2004-09-02 US disclosed
US-6734139-B1 N-aryl-uracile-based herbicides BAYER AKTIENGESELLSCHAFT (DE) 2004-05-11 US disclosed
WO-2001039597-A2 N-ARYL-URACILE-BASED HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 WO disclosed
WO-2001022819-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 WO disclosed
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed
US-5935907-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-08-10 US disclosed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 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 (3 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-20230015308-A1 SUBSTITUTED THIAZOLE AROMATIC RING-BASED COMPOUND AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF WEE1, CBR3, GLRX3 ALDH1A1 1471/4885MAPT 4080/4885L3MBTL1 1816/4885
US-20040171488-A1 N-aryl-uracils based Herbicides DDT, UNG, DDC ALDH1A1 322/4885MAPT 3439/4885L3MBTL1 774/4885
US-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 ALDH1A1 716/4885MAPT 4698/4885L3MBTL1 3680/4885

“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.