SCHEMBL6170508

SCHEMBL6170508

C=C[C@H](Cc1cc(S(=O)(=O)O)ccc1C)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.38
CA1 P00915 8/20 0.38
CA9 Q16790 6/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
LMNA P02545 3/20 0.37
XBP1 P17861 3/20 0.37
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HSP90AA1 P07900 2/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 5/20 0.36
ALDH1A1 P00352 2/20 0.36
JAK2 O60674 2/20 0.36
S1PR4 O95977 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL6172075 0.80 JAK2 (0.40) LMNAXBP1HTTNPSR1HSP90AA1
SCHEMBL382478 0.76 NQO2 (0.51) CA2CA1CA9XBP1HTT
SCHEMBL3244228 0.73 CA1 (0.54) CA2CA1CA9NPSR1TP53
SCHEMBL2587707 0.73 CA1 (0.54) CA2CA1CA9NPSR1TP53
SCHEMBL31689609 0.72 TACR1 (0.42) CA2CA1CA9CA4CA7
SCHEMBL3643626 0.72 ACACB (0.36) LMNAXBP1HTTNPSR1HSP90AA1
SCHEMBL3341360 0.72 ACACB (0.36) LMNAXBP1HTTNPSR1HSP90AA1
SCHEMBL5732519 0.71 ATM (0.57) ALDH1A1CTSKMAPT
SCHEMBL13937947 0.71 ATM (0.57) ALDH1A1CTSKMAPT
SCHEMBL1207885 0.71 ATM (0.57) ALDH1A1CTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO 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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 CA2 3975/4885CA1 4872/4885CA9 3700/4885

“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.