SCHEMBL25525586

SCHEMBL25525586

CCCCC(CC)NS(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MMP12 P39900 7/20 0.47
MMP2 P08253 7/20 0.47
MMP9 P14780 6/20 0.47
MMP8 P22894 4/20 0.47
MMP14 P50281 4/20 0.47
TSHR P16473 1/20 0.47
MMP1 P03956 3/20 0.46
MMP7 P09237 3/20 0.46
MMP13 P45452 3/20 0.46
ACE P12821 2/20 0.46
CA2 P00918 2/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL14281899 0.95 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5261326 0.90 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2228232 0.89 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14539177 0.86 CA2 (0.60) SMN1; SMN2ALDH1A1CYP2C9MMP2MMP9
SCHEMBL28034004 0.86 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27821808 0.83 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9577105 0.83 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9462804 0.82 SMN1; SMN2 (0.81) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15341681 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11491425 0.80 CA2 (0.50) SMN1; SMN2ALDH1A1MMP12MMP2MMP9

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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-25 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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 SMN1; SMN2 991/4885ALDH1A1 2269/4885CYP1A2 4623/4885

“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.