SCHEMBL5470517

SCHEMBL5470517

COCc1c(S(C)(=O)=O)ccc(C(=O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
AXL P30530 1/20 0.33
PTK2 Q05397 1/20 0.33
AURKB Q96GD4 1/20 0.33
ALK Q9UM73 1/20 0.33
TSHR P16473 1/20 0.33
PTGER1 P34995 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PTGER4 P35408 3/20 0.32
ACLY P53396 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32

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
Hydrochloric Acid SCHEMBL5473450 0.98 LMNA (0.33) LMNAALDH1A1MAPK1IGF1RSRC
SCHEMBL5473449 0.87 IGF1R (0.33) ALDH1A1IGF1RSRCAXLPTK2
SCHEMBL9078012 0.84 LMNA (0.39) LMNAALDH1A1TSHRKDM5AKDM5B
SCHEMBL28526677 0.83 ALDH1A1 (0.37) LMNAALDH1A1MAPK1TSHRBCAT2
SCHEMBL6605776 0.81 ALDH1A1 (0.36) LMNAALDH1A1MAPK1BCAT2ALOX15
SCHEMBL30595097 0.80 ALDH1A1 (0.42) LMNAALDH1A1MAPK1TSHRBCAT2
SCHEMBL8138242 0.80 ALDH1A1 (0.42) LMNAALDH1A1MAPK1TSHRBCAT2
SCHEMBL9657374 0.79 HPD (0.36) ALDH1A1PTGS2
SCHEMBL9448604 0.76 PTGS2 (0.34) ALDH1A1IGF1RSRCAXLPTK2
SCHEMBL1358599 0.76 TDP1 (0.44) LMNAALDH1A1MAPK1TSHRACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11171828-A None JP disclosed
JP-10095702-A None JP disclosed
US-20070265165-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2007-11-15 US disclosed
US-7265230-B2 For inhibiting undesirable plant growth SYNGENTA PARTICIPATIONS AG (CH) 2007-09-04 US disclosed
EP-1140811-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-08-02 EP disclosed
US-20030236167-A1 Novel herbicides SCHAETZER JURGEN (DE) 2003-12-25 US disclosed
US-6599861-B2 Applying to weeds SYNGENTA PARTICIPATIONS AG (CH) 2003-07-29 US disclosed
US-20020165096-A1 Novel herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-11-07 US disclosed
EP-1140811-A1 NOVEL HERBICIDES Syngenta Participations AG (CH) 2001-10-10 EP disclosed
WO-2000037437-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-06-29 WO disclosed
JP-H11171828-A SUBSTITUTED BENZENE DERIVATIVE NISSAN CHEM IND LTD 1999-06-29 JP disclosed
JP-H1095702-A SUBSTITUTED BENZENE DERIVATIVE NISSAN CHEM IND LTD 1998-04-14 JP disclosed
EP-0282944-B1 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL IND LTD (JP) 1996-09-11 EP disclosed
US-5175299-A Benzoic acid derivatives useful as intermediates for the preparation of herbicidal 4-benzoylpyrazoles NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
US-5094685-A SUBSTITUTED BENZOYL DERIVATIVES AND SELECTIVE HERBICIDES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-10 US disclosed
US-4954165-A Substituted benzoyl derivatives and selective herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-09-04 US disclosed
US-4948887-A FOR UPLAND FIELDS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-08-14 US disclosed
US-4885022-A Herbicidal pyrazole derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-12-05 US disclosed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 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-20020165096-A1 Novel herbicides DDT, CYP1B1, CYP1A1 LMNA 4595/4885ALDH1A1 29/4885MAPK1 837/4885
US-20030236167-A1 Novel herbicides DDT, CYP1B1, CYP1A1 LMNA 4595/4885ALDH1A1 29/4885MAPK1 837/4885
US-20070265165-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 LMNA 4597/4885ALDH1A1 37/4885MAPK1 1232/4885

“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.