SCHEMBL3549512

SCHEMBL3549512

COC(=O)[C@H]1CCN1C(=O)c1cc(C#Cc2cccc(F)c2)c(OC)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.44
PDK2 Q15119 1/20 0.41
GRM5 P41594 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
GRIN2C Q14957 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL3549511 1.00 FKBP1A (0.44) FKBP1APDK2GRM5ALDH1A1CYP1A2
SCHEMBL3548264 0.91 TSHR (0.39) FKBP1AGRM5ALDH1A1CYP1A2TSHR
SCHEMBL3548261 0.91 TSHR (0.39) FKBP1AGRM5ALDH1A1CYP1A2TSHR
SCHEMBL3547601 0.83 FKBP1A (0.51) FKBP1APDK2ALDH1A1CYP1A2MEN1
SCHEMBL3547600 0.83 FKBP1A (0.51) FKBP1APDK2ALDH1A1CYP1A2MEN1
SCHEMBL3544958 0.80 FKBP1A (0.52) FKBP1APDK2ALDH1A1CYP1A2TSHR
SCHEMBL3544962 0.80 FKBP1A (0.52) FKBP1APDK2ALDH1A1CYP1A2TSHR
SCHEMBL3546350 0.79 FKBP1A (0.64) FKBP1APDK2ALDH1A1CYP1A2MEN1
SCHEMBL3546353 0.79 FKBP1A (0.64) FKBP1APDK2ALDH1A1CYP1A2MEN1
SCHEMBL3549639 0.78 AKR1C2 (0.49) LMNATUBB4ATUBBTUBA3CTUBA1B

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 3069/4885PDK2 2445/4885GRM5 3683/4885

“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.