SCHEMBL3545453

SCHEMBL3545453

C=CCc1cc(C(=O)N2CC[C@@H]2C(=O)OC)cc(CC=C)c1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.44
FKBP1A P62942 3/20 0.43
ALDH1A1 P00352 2/20 0.38
LOX P28300 1/20 0.37
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL3545452 1.00 PDK2 (0.44) PDK2FKBP1AALDH1A1LOXMMP2
SCHEMBL3552619 0.93 FKBP1A (0.50) PDK2FKBP1AALDH1A1MMP2ANPEP
SCHEMBL3552618 0.93 FKBP1A (0.50) PDK2FKBP1AALDH1A1MMP2ANPEP
SCHEMBL3547320 0.88 MMP2 (0.39) PDK2FKBP1AALDH1A1MMP2ANPEP
SCHEMBL3547321 0.88 MMP2 (0.39) PDK2FKBP1AALDH1A1MMP2ANPEP
SCHEMBL3553703 0.88 FKBP1A (0.42) PDK2FKBP1AALDH1A1MMP2ANPEP
SCHEMBL3553701 0.88 FKBP1A (0.42) PDK2FKBP1AALDH1A1MMP2ANPEP
SCHEMBL3544529 0.87 FKBP1A (0.44) PDK2FKBP1AALDH1A1MMP2ANPEP
SCHEMBL3544530 0.87 FKBP1A (0.44) PDK2FKBP1AALDH1A1MMP2ANPEP
SCHEMBL3547715 0.84 FKBP1A (0.44) PDK2FKBP1AALDH1A1LOXKMT2A

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-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

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 PDK2 2445/4885FKBP1A 3069/4885ALDH1A1 2309/4885

“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.