SCHEMBL7026698

SCHEMBL7026698

CCCNc1c(Cl)csc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CISD1 Q9NZ45 2/20 0.39
GSK3B P49841 3/20 0.36
HCAR3 P49019 2/20 0.36
KDM6B O15054 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
MAPK14 Q16539 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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 SCHEMBL7033086 0.98 KMT2A (0.42) KMT2ACISD1GSK3BHCAR3KDM6B
SCHEMBL7028014 0.82 CYP1A2 (0.47) KMT2AHCAR3KDM6BKDM4CCYP1A2
SCHEMBL7029623 0.82 HCAR3 (0.36) KMT2AGSK3BHCAR3KDM6BKDM4C
Hydrochloric Acid SCHEMBL7035051 0.81 CYP1A2 (0.46) KMT2AHCAR3KDM6BKDM4CCYP1A2
Hydrochloric Acid SCHEMBL7028074 0.81 HCAR3 (0.36) KMT2AGSK3BHCAR3KDM6BKDM4C
SCHEMBL7031059 0.77 TRPA1 (0.38) KMT2AHCAR3KDM6BKDM4CCYP1A2
Hydrochloric Acid SCHEMBL7034921 0.76 TRPA1 (0.38) KMT2AHCAR3KDM6BKDM4CCYP1A2
SCHEMBL28104480 0.73 GPR35 (0.46) KMT2ACISD1GSK3BHCAR3KDM6B
SCHEMBL28229016 0.72 ALDH1A1 (0.44) KMT2AHCAR3CYP1A2CYP3A4HTR1A
SCHEMBL28104289 0.72 GPR35 (0.48) CISD1GSK3BHCAR3ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds MULLER KLAUS-HELMUT (DE) 2003-08-28 US disclosed
US-6441195-B1 2-ALKOXYCARBONYL-3-SULPHONAMIDE, SULPHONYL ISOCYANATE OR SULPHONYL ISOTHIOCYANATE-THIOPHENES; PRE- OR POSTEMERGENCE HERBICIDES; EFFICIENCY BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-6180567-B1 REACTING 2-ALKOXYCARBONYL-BENZENESULFONAMIDE DERIVATIVE WITH 1,2,4-(1H)TRIAZOLE-5-(THI)ONE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 2001-01-30 US 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 (1 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-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds CBR3, CTH, CBR1 KMT2A 2161/4885CISD1 23/4885GSK3B 3856/4885

“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.