SCHEMBL7028014

SCHEMBL7028014

CCCNc1c(C)csc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
HTR1A P08908 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 2/20 0.37
HCAR3 P49019 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
GPR35 Q9HC97 4/20 0.35

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 SCHEMBL7035051 0.98 CYP1A2 (0.46) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL28229016 0.89 ALDH1A1 (0.44) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL7029623 0.83 HCAR3 (0.36) CYP1A2CYP3A4HTR1ASCN1ASCN2A
Hydrochloric Acid SCHEMBL7028074 0.82 HCAR3 (0.36) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL7026698 0.82 KMT2A (0.43) CYP1A2CYP3A4HTR1ASCN1ASCN2A
Hydrochloric Acid SCHEMBL7033086 0.81 KMT2A (0.42) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL7031059 0.78 TRPA1 (0.38) CYP1A2CYP3A4HTR1ASCN1ASCN2A
Hydrochloric Acid SCHEMBL7034921 0.77 TRPA1 (0.38) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL9412742 0.77 SCN1A (0.79) CYP1A2CYP3A4HTR1ASCN1ASCN2A
SCHEMBL4785611 0.77 ALDH1A1 (0.53) CYP1A2CYP3A4HTR1ASCN1ASCN2A

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 CYP1A2 227/4885CYP3A4 387/4885HTR1A 1614/4885

“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.