SCHEMBL6133004

SCHEMBL6133004

CCOC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
CNR2 P34972 1/20 0.34
NLRP3 Q96P20 2/20 0.34
BRD9 Q9H8M2 1/20 0.34
KCNQ4 P56696 2/20 0.33
KCNQ5 Q9NR82 2/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL6133119 0.85 ITGA4 (0.38) CNR2BRD9GSK3BDYRK1AHDAC3
SCHEMBL20262397 0.82 ITGA4 (0.36) TSHRCNR2BRD9GSK3BDYRK1A
SCHEMBL24255779 0.81 GSK3B (0.37) LMNACNR2BRD9GSK3BDYRK1A
SCHEMBL6133027 0.80 ALDH1A1 (0.46) LMNAHTT
SCHEMBL2173526 0.76 MAPK1 (0.41) CNR2NLRP3BRD9GSK3BDYRK1A
SCHEMBL6133587 0.76 ALDH1A1 (0.44) HTTTSHR
SCHEMBL28862920 0.75 DGAT2 (0.43) CYP4F2CYP4A11
SCHEMBL29361179 0.74 CYP4F2 (0.38) CYP4F2CYP4A11L3MBTL1CYP2C9NLRP3
SCHEMBL23674639 0.74 CYP4F2 (0.38) CYP4F2CYP4A11L3MBTL1CYP2C9NLRP3
SCHEMBL25056521 0.74 LMNA (0.44) LMNACYP4F2CYP4A11L3MBTL1CYP1A2

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-20050004094-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
WO-2004101571-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-25 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-20050004094-A1 Cephem compounds CEP170, C1S, CEPT1 LMNA 1933/4885CYP4F2 814/4885CYP4A11 1218/4885

“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.