SCHEMBL16178173

SCHEMBL16178173

Cc1ccc(S(=O)(=O)NCB(O)OC(C)(C)C(C)(C)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
GBA1 P04062 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL14861500 0.76 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL16178580 0.73 CA1 (0.44) ALDH1A1KMT2AHPGDCA2CA1
SCHEMBL17203592 0.71 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACA2CA1
SCHEMBL16178511 0.71 GRIA1 (0.35)
SCHEMBL16178407 0.71
SCHEMBL11840410 0.69 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL17203236 0.69 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL31476332 0.68 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL855612 0.68 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL1365908 0.68 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371337-B2 β-lactamase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-21 US disclosed
US-20140315861-A1 BETA-LACTAMASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-23 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-20140315861-A1 BETA-LACTAMASE INHIBITORS BTD, GUSB, BLVRB ALDH1A1 824/4885MEN1 2814/4885KMT2A 1710/4885

“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.