SCHEMBL3544530

SCHEMBL3544530

C=CCOc1c(CC=C)cc(C(=O)N2CC[C@@H]2C(=O)OC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PDK2 Q15119 1/20 0.39
MMP2 P08253 1/20 0.39
ANPEP P15144 1/20 0.39
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.38
GAA P10253 1/20 0.37
PTPN1 P18031 1/20 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
SCHEMBL3544529 1.00 FKBP1A (0.44) FKBP1AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL3552618 0.92 FKBP1A (0.50) FKBP1AALDH1A1PDK2MMP2ANPEP
SCHEMBL3552619 0.92 FKBP1A (0.50) FKBP1AALDH1A1PDK2MMP2ANPEP
SCHEMBL3547062 0.90 MMP2 (0.41) FKBP1AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL3547065 0.90 MMP2 (0.41) FKBP1AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL3545453 0.87 PDK2 (0.44) FKBP1AALDH1A1NPC1HPGDHTT
SCHEMBL3545452 0.87 PDK2 (0.44) FKBP1AALDH1A1NPC1HPGDHTT
SCHEMBL3553703 0.87 FKBP1A (0.42) FKBP1AKDM4EALDH1A1NPC1HPGD
SCHEMBL3553701 0.87 FKBP1A (0.42) FKBP1AKDM4EALDH1A1NPC1HPGD
SCHEMBL3550596 0.83 FKBP1A (0.44) FKBP1APDK2MMP2ANPEPGAA

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 FKBP1A 3069/4885KDM4E 2323/4885ALDH1A1 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.