SCHEMBL2287006

SCHEMBL2287006

COc1cc(OC)nc(C(SC)c2cccc(Cl)c2N)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 2/20 0.36
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CTSA P10619 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
PNMT P11086 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
NUDT1 P36639 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2282979 0.93 HSP90AA1 (0.40) HSP90AA1HSP90AB1NPSR1ALDH1A1CYP1A2
SCHEMBL2292358 0.89 KDM4E (0.38) HSP90AA1HSP90AB1NPSR1ALDH1A1CYP1A2
SCHEMBL2287297 0.85 HSP90AA1 (0.32) HSP90AA1HSP90AB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3781495 0.85 KDM4E (0.39) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL2289662 0.84
SCHEMBL2286990 0.84 ALDH1A1 (0.32) NPSR1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL2288291 0.84 ALDH1A1 (0.32) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL2287633 0.84 EDNRB (0.35) ALDH1A1NPC1RAB9ACTSACYP1A2
SCHEMBL2289487 0.83
SCHEMBL2286121 0.82 HSP90AA1 (0.38) HSP90AA1HSP90AB1OPRM1OPRL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008484-B2 Use of sulfonanilides as agricultural and horticultural fungicide BAYER CROPSCIENCE AG (DE) 2011-08-30 US disclosed
US-7829703-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2010-11-09 US disclosed
US-7829703-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2010-11-09 US disclosed
US-7829703-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2010-11-09 US disclosed
US-7482308-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2009-01-27 US disclosed
US-7482308-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2009-01-27 US disclosed
US-7482308-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2009-01-27 US disclosed
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-12-18 US disclosed
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-12-18 US disclosed
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-12-18 US disclosed
US-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide BAYER CROPSCIENCE AG (DE) 2007-09-20 US disclosed
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
EP-1750510-B1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2007-08-22 EP disclosed
EP-1750510-A1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2007-02-14 EP disclosed
WO-2005096818-A1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2005-10-20 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 (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-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide CBR3, CYP51A1, CBR1 HSP90AA1 3876/4885HSP90AB1 3783/4885OPRM1 3135/4885
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides PFAS, DDT, HDHD5 HSP90AA1 516/4885HSP90AB1 347/4885OPRM1 2278/4885
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES HDHD5, PFAS, DDT HSP90AA1 658/4885HSP90AB1 435/4885OPRM1 2206/4885

“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.