SCHEMBL4933996

SCHEMBL4933996

CCCn1c(CCC(NC(=O)OC(C)(C)C)C(=O)OCc2ccccc2)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
CTSK P43235 3/20 0.41
CTSS P25774 1/20 0.41
HDAC1 Q13547 1/20 0.40
SYK P43405 1/20 0.39
PPARA Q07869 1/20 0.39
P2RX3 P56373 1/20 0.39
KLK7 P49862 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1B Q00975 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
KLK5 Q9Y337 1/20 0.38
GNRHR P30968 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL4933987 1.00 AGTR1 (0.41) AGTR1AGTR2CTSKCTSSHDAC1
SCHEMBL4936033 0.94 AGTR1 (0.43) AGTR1AGTR2CTSKCTSSBCHE
SCHEMBL4936048 0.94 AGTR1 (0.43) AGTR1AGTR2CTSKCTSSBCHE
SCHEMBL4935805 0.93 AGTR1 (0.45) AGTR1AGTR2CTSKCTSSSYK
SCHEMBL4935818 0.93 AGTR1 (0.45) AGTR1AGTR2CTSKCTSSSYK
SCHEMBL4928018 0.91 CTSK (0.41) CTSKCTSSHDAC1SYKPPARA
SCHEMBL4928007 0.91 CTSK (0.41) CTSKCTSSHDAC1SYKPPARA
SCHEMBL4935274 0.89 MEN1 (0.47) CTSKCTSSSYKMAPTGAA
SCHEMBL4935261 0.89 MEN1 (0.47) CTSKCTSSSYKMAPTGAA
SCHEMBL4930418 0.87 AGTR1 (0.43) AGTR1AGTR2CTSKCTSSHDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 AGTR1 377/4885AGTR2 327/4885CTSK 322/4885

“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.