SCHEMBL3544388

SCHEMBL3544388

COc1cc(C(=O)O)cc(I)c1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 6/20 0.69
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA4 P22748 2/20 0.58
CA6 P23280 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA3 P07451 1/20 0.58
PKM P14618 1/20 0.58
CA5A P35218 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
PTGS2 P35354 1/20 0.55
BPTF Q12830 1/20 0.54
HTT P42858 2/20 0.49
CNR2 P34972 1/20 0.49
LMNA P02545 2/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.46

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
SCHEMBL14024230 0.90 TPMT (0.81) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.86 TPMT (0.78) TPMTCA12CA1CA2CA4
SCHEMBL7122014 0.85 LMNA (0.58) TPMTBPTFHTTLMNAKMT2A
3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 0.84 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL4080846 0.84 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 0.84 TPMT (0.75) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL11023602 0.84 TPMT (0.75) TPMTCA12CA1CA2CA4
SCHEMBL7122998 0.84 BPTF (0.53) TPMTBPTFHTTLMNAKMT2A
SCHEMBL5779960 0.84 BPTF (0.74) TPMTBPTFHTTSMN1; SMN2ALDH1A1
SCHEMBL28534372 0.84 TPMT (0.53) TPMTCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 WO disclosed
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 (2 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 TPMT 3072/4885CA12 4808/4885CA1 3936/4885
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE TPMT 3495/4885CA12 3880/4885CA1 4363/4885

“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.