SCHEMBL985454

SCHEMBL985454

CCNC(=O)[C@@H](C)OC(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.56
KLK7 P49862 5/20 0.51
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
RAB9A P51151 2/20 0.46
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL54187 1.00 CASP3 (0.56) CASP3KLK7PSEN1PSEN2APH1B
SCHEMBL16899692 1.00 CASP3 (0.56) CASP3KLK7PSEN1PSEN2APH1B
SCHEMBL2811832 1.00 CASP3 (0.56) CASP3KLK7PSEN1PSEN2APH1B
SCHEMBL28074655 0.89 CASP3 (0.47) CASP3KLK7PSEN1PSEN2APH1B
Indole SCHEMBL1665105 0.84 CASP3 (0.43) CASP3KLK7PSEN1PSEN2APH1B
SCHEMBL5270422 0.84 ALDH1A1 (0.46) CASP3ALDH1A1LMNAMEN1KMT2A
Chlorpropham SCHEMBL4658788 0.83 HPGD (0.65) CASP3KLK7RAB9AALDH1A1LMNA
Tebutam SCHEMBL28189818 0.82 KMT2A (0.43) CASP3KLK7ALDH1A1LMNAMEN1
Carbaril SCHEMBL19973922 0.82 ALDH1A1 (0.57) CASP3KLK7ALDH1A1LMNAMEN1
SCHEMBL910267 0.80 CASP3 (0.53) CASP3KLK7PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 US claimed
EP-1453377-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES Bayer CropScience AG (DE) 2004-09-08 EP claimed
EP-1429612-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE Bayer CropScience AG (DE) 2004-06-23 EP claimed
WO-2003047346-A1 HERBICIDES BASED ON SUBSTITUTED CARBOXYLIC ACID ANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-06-12 WO claimed
WO-2003026426-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE BAYER CROPSCIENCE AG (DE) 2003-04-03 WO claimed
US-20210400970-A1 COMPOSITIONS COMPRISING PYRIDINE CARBOXYLATE HERBICIDES AND MICROTUBULE ASSEMBLY INHIBITOR HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2021-12-30 US disclosed
US-20210033618-A1 BIOLOGICAL STATUS CLASSIFICATION RANDOX LABORATORIES LTD (GB) 2021-02-04 US disclosed
US-9055748-B2 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one BAYER CROPSCIENCE AG (DE) 2015-06-16 US disclosed
US-8648014-B2 Herbicides containing substituted thien-3-yl-sulphonylaminio(thio)carbonyl-triazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2014-02-11 US disclosed
US-20130178363-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE BAYER CROPSCIENCE AG (DE) 2013-07-11 US disclosed
US-20120309622-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULPHONYLAMINIO(THIO)CARBONYL-TRIAZOLIN(ETHI)ONES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-06 US disclosed
US-8268752-B2 Herbicides containing substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2012-09-18 US disclosed
EP-0559742-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-15 EP disclosed
WO-1993003020-A1 HERBICIDAL QUINOXALINYLOXY ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-02-18 WO disclosed
WO-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 WO disclosed
WO-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO disclosed
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 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-20130178363-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE TARS2, TST, DDT CASP3 315/4885KLK7 3821/4885PSEN1 4207/4885
US-20210400970-A1 COMPOSITIONS COMPRISING PYRIDINE CARBOXYLATE HERBICIDES AND MICROTUBULE ASSEMBLY INHIBITOR HERBICIDES MAP2, MAP4, TUBB CASP3 2184/4885KLK7 4538/4885PSEN1 4260/4885
US-20120309622-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULPHONYLAMINIO(THIO)CARBONYL-TRIAZOLIN(ETHI)ONES TST, DDT, TARS2 CASP3 93/4885KLK7 3159/4885PSEN1 3156/4885
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one DDT, TARS2, CBR3 CASP3 833/4885KLK7 4091/4885PSEN1 3859/4885

“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.