SCHEMBL7029623

SCHEMBL7029623

CCCNc1c(CC)csc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.36
KDM6B O15054 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
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
DAO P14920 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
GPR35 Q9HC97 4/20 0.33
ABCC1 P33527 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 SCHEMBL7028074 0.98 HCAR3 (0.36) HCAR3KDM6BKDM4CCYP1A2CYP3A4
SCHEMBL7028014 0.83 CYP1A2 (0.47) HCAR3KDM6BKDM4CCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7035051 0.82 CYP1A2 (0.46) HCAR3KDM6BKDM4CCYP1A2CYP3A4
SCHEMBL7026698 0.82 KMT2A (0.43) HCAR3KDM6BKDM4CCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7033086 0.81 KMT2A (0.42) HCAR3KDM6BKDM4CCYP1A2CYP3A4
SCHEMBL7031059 0.78 TRPA1 (0.38) HCAR3KDM6BKDM4CCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7034921 0.77 TRPA1 (0.38) HCAR3KDM6BKDM4CCYP1A2CYP3A4
SCHEMBL28104480 0.74 GPR35 (0.46) HCAR3KDM6BKDM4CALDH1A1KMT2A
SCHEMBL28104289 0.73 GPR35 (0.48) HCAR3ALDH1A1GAAMAPTGSK3B
SCHEMBL28229016 0.73 ALDH1A1 (0.44) HCAR3CYP1A2CYP3A4HTR1ASCN1A

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 HCAR3 532/4885KDM6B 2016/4885KDM4C 1782/4885

“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.