SCHEMBL82268

SCHEMBL82268

COc1cc(CCNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)ccc1OCC#Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CNR1 P21554 1/20 0.45
CTSD P07339 2/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGER1 P34995 1/20 0.41

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
SCHEMBL29419083 1.00 KMT2A (0.48) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL483297 1.00 KMT2A (0.48) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL157178 1.00 KMT2A (0.48) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL1612770 0.97 KMT2A (0.49) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL2436455 0.93 KMT2A (0.46) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL1402160 0.93 LMNA (0.48) KMT2AMEN1GAALMNASMN1; SMN2
SCHEMBL157766 0.93 KMT2A (0.47) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL29408450 0.93 KMT2A (0.47) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL7689446 0.92 SMN1; SMN2 (0.46) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL7099648 0.92 MEN1 (0.49) KMT2AMEN1ALDH1A1LMNA

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 1462 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3488700-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE AG (DE) 2020-12-16 EP claimed
EP-2854545-B1 COMPOSITIONS COMPRISING A BIOLOGICAL CONTROL AGENT AND AN INSECTICIDE BAYER CROPSCIENCE AG (DE) 2020-10-21 EP claimed
EP-3010893-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2019-10-02 EP claimed
US-20190159451-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-30 US claimed
EP-3488700-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2019-05-29 EP claimed
EP-2854552-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE SELECTED FROM INHIBITORS OF AMINO ACID OR PROTEIN BIOSYNTHESIS, INHIBITORS OF ATP PRODUCTION AND INHIBITORS OF THE CELL WALL SYNTHESIS BAYER CROPSCIENCE AG (DE) 2019-05-08 EP claimed
EP-3409120-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2018-12-05 EP claimed
EP-3010889-B1 ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-10-03 EP claimed
EP-2879493-B1 PESTICIDAL COMPOSITIONS COMPRISING A TERPENE MIXTURE AND FLUPYRADIFURONE BAYER CROPSCIENCE AG (DE) 2018-09-19 EP claimed
EP-2854547-B1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND TRIFLOXYSTROBIN BAYER CROPSCIENCE AG (DE) 2018-08-01 EP claimed
EP-1570736-A1 Fungicide composition comprising an arylamidine derivative and known fungicide compounds Bayer CropScience S.A. (FR) 2005-09-07 EP claimed
EP-1444197-B1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-30 EP claimed
US-20050026785-A1 Novel phenyl-propargylether derivatives SYNGENTA CROP PROTECTION, INC. 2005-02-03 US claimed
EP-1444197-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2004-08-11 EP claimed
EP-1282595-B1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-07-14 EP claimed
WO-2003041728-A9 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-22 WO claimed
US-6683211-B1 FUNGICIDES FOR CROPS SYNGENTA CROP PROTECTION, INC. 2004-01-27 US claimed
WO-2003041728-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 WO claimed
EP-1282595-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES Syngenta Participations AG (CH) 2003-02-12 EP claimed
WO-2001087822-A1 NOVEL PHENYL-PROPARGYLETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2001-11-22 WO claimed

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-20190159451-A1 ACTIVE COMPOUND COMBINATIONS AND METHODS TO PROTECT THE PROPAGATION MATERIAL OF PLANTS BROX, CAT, MPG KMT2A 3113/4885MEN1 1143/4885GAA 811/4885
US-20050026785-A1 Novel phenyl-propargylether derivatives OR10J3, PRXL2A, OSR1 KMT2A 2350/4885MEN1 1557/4885GAA 3350/4885

“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.