SCHEMBL3548264

SCHEMBL3548264

COc1cc(C(=O)N2CC[C@@H]2C(=O)NO)cc(C#Cc2cccc(F)c2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
GRM5 P41594 2/20 0.38
MMP2 P08253 2/20 0.38
ANPEP P15144 1/20 0.38
KCNQ1 P51787 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FKBP1A P62942 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GRIN2C Q14957 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 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
SCHEMBL3548261 1.00 TSHR (0.39) TSHRGRM5MMP2ANPEPKCNQ1
SCHEMBL3549512 0.91 FKBP1A (0.44) TSHRGRM5ALDH1A1CYP1A2FKBP1A
SCHEMBL3549511 0.91 FKBP1A (0.44) TSHRGRM5ALDH1A1CYP1A2FKBP1A
SCHEMBL3550388 0.84 MMP2 (0.44) TSHRMMP2ANPEPALDH1A1CYP1A2
SCHEMBL3550390 0.84 MMP2 (0.44) TSHRMMP2ANPEPALDH1A1CYP1A2
SCHEMBL13437614 0.83 TUBB4A (0.45) TSHRMMP2ANPEPKCNQ1ALDH1A1
SCHEMBL5242746 0.81 GYS1 (0.32) KCNQ1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3544953 0.81 GAA (0.45) TSHRMMP2ANPEPALDH1A1CYP1A2
SCHEMBL3544951 0.81 GAA (0.45) TSHRMMP2ANPEPALDH1A1CYP1A2
SCHEMBL3546688 0.80 MMP2 (0.54) TSHRMMP2ANPEPALDH1A1CYP1A2

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 9 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 claimed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US claimed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US 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
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 TSHR 3540/4885GRM5 3683/4885MMP2 1277/4885

“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.