SCHEMBL3547417

SCHEMBL3547417

CCC(F)c1cc(C(=O)O)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.54
MAPK1 P28482 2/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
TSHR P16473 1/20 0.47
PTGS2 P35354 1/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3548343 0.84 TPMT (0.55) TPMTMAPK1CA12CA1CA2
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.77 TPMT (0.78) TPMTMAPK1CA12CA1CA2
SCHEMBL6990203 0.76 TSHR (0.66) TPMTMAPK1CA12CA1CA2
SCHEMBL8638411 0.76 TPMT (0.66) TPMTMAPK1CA12CA1CA2
SCHEMBL28257930 0.75 TPMT (0.60) TPMTMAPK1CA12CA1CA2
SCHEMBL3548301 0.75 ALOX15 (0.39) MAPK1CA1CA2CA4CA6
3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 0.75 TPMT (0.75) TPMTMAPK1CA12CA1CA2
3,4,5-Trimethoxybenzoic Acid SCHEMBL4080846 0.75 TPMT (0.75) TPMTMAPK1CA12CA1CA2
3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 0.75 TPMT (0.75) TPMTMAPK1CA12CA1CA2
3,4,5-Trimethoxybenzoic Acid SCHEMBL11023602 0.75 TPMT (0.75) TPMTMAPK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE TPMT 3495/4885MAPK1 3387/4885CA12 3880/4885

“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.