SCHEMBL19239201

SCHEMBL19239201

N#Cc1ccc(CN[SH](=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.59
CYP2A6 P11509 1/20 0.52
CYP19A1 P11511 3/20 0.51
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41

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
SCHEMBL15876417 0.80 CYP2C9 (0.38) LOXL2CYP19A1CA12CA1CA2
SCHEMBL23879203 0.76 LOXL2 (0.71) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL509578 0.74 LOXL2 (1.00) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL25588079 0.74 LOXL2 (0.68) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL517815 0.73 LOXL2 (0.61) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL5783877 0.73 CYP19A1 (0.67) LOXL2CYP2A6CYP19A1CA12CA1
SCHEMBL11626791 0.72 LOXL2 (0.65) LOXL2CYP2A6CYP19A1SAE1UBA2
Hydrochloric Acid SCHEMBL8135282 0.72 LOXL2 (0.95) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL22972243 0.72 LOXL2 (0.65) LOXL2CYP2A6CYP19A1SAE1UBA2
SCHEMBL13776817 0.72 CYP2A6 (0.58) LOXL2CYP2A6CYP19A1SAE1UBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170231224-A1 SULFONAMIDES THAT ACTIVATE ABA RECEPTORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-08-17 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-20170231224-A1 SULFONAMIDES THAT ACTIVATE ABA RECEPTORS STS, NAAA, ARSA LOXL2 4000/4885CYP2A6 1618/4885CYP19A1 1245/4885

“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.