SCHEMBL5520451

SCHEMBL5520451

COC(=O)c1ccccc1Cc1nc(C(C)(C)C)sc1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
ADCY10 Q96PN6 1/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
NPBWR1 P48145 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PTK2 Q05397 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
SCHEMBL5522468 0.90 CYP2C9 (0.37) ALDH1A1LMNAKMT2AKDM4EPOLB
SCHEMBL5519955 0.89 ALDH1A1 (0.41) ALDH1A1LMNAADCY10MAPK8MAPK9
SCHEMBL2692655 0.88 LMNA (0.40) ALDH1A1LMNAADCY10MAPK8MAPK9
SCHEMBL5527746 0.77 TSHR (0.41) ALDH1A1LMNAKMT2AKDM4EPOLB
SCHEMBL5559399 0.76 CYP2C9 (0.36) ALDH1A1LMNAKMT2AKDM4EPOLB
SCHEMBL13494034 0.73 ALDH1A1 (0.44) ALDH1A1LMNAADCY10KMT2AKDM4E
SCHEMBL5522185 0.72 POLB (0.42) LMNAKMT2APOLB
SCHEMBL5556728 0.71 ALDH1A1 (0.42) ALDH1A1LMNAADCY10KMT2AKDM4E
SCHEMBL5522175 0.71 SMN1; SMN2 (0.41) ALDH1A1LMNAKMT2AKDM4EHTT
SCHEMBL70322 0.70 ALDH1A1 (0.66) ALDH1A1LMNAADCY10KMT2AKDM4E

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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US disclosed
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 ALDH1A1 2042/4885LMNA 3249/4885ADCY10 4446/4885

“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.