SCHEMBL3545381

SCHEMBL3545381

COc1cc(C(=O)O)cc(OCC(F)(F)F)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.55
PKM P14618 2/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA3 P07451 1/20 0.49
CA5A P35218 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
PTGS2 P35354 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5205202 0.91 TPMT (0.54) TPMTPKMCA12CA1CA2
SCHEMBL3545784 0.87 KDM4E (0.49) KMT2AMEN1CYP3A4CYP2C19MAPK1
SCHEMBL8161835 0.85 L3MBTL1 (0.49) TPMTPKMCA12CA1CA2
SCHEMBL15350009 0.82 TSHR (0.68) TPMTCA12CA1CA2CA4
SCHEMBL4281564 0.82 CA12 (0.65) TPMTCA12CA1CA2CA4
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.82 TPMT (0.78) TPMTPKMCA12CA1CA2
SCHEMBL6990203 0.81 TSHR (0.66) TPMTPKMCA12CA1CA2
3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 0.80 TPMT (0.75) TPMTPKMCA12CA1CA2
3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 0.80 TPMT (0.75) TPMTPKMCA12CA1CA2
3,4,5-Trimethoxybenzoic Acid SCHEMBL11023602 0.80 TPMT (0.75) TPMTPKMCA12CA1CA2

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 3495/4885PKM 4091/4885CA12 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.