SCHEMBL259952

SCHEMBL259952

COC(=O)C(Cc1cccnc1)NC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.59
ALDH1A1 P00352 3/20 0.49
ATM Q13315 2/20 0.49
ACACB O00763 3/20 0.48
TACR1 P25103 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
FDPS P14324 1/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
GPR132 Q9UNW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL17053683 1.00 NLRP3 (0.59) NLRP3ALDH1A1ATMACACBTACR1
SCHEMBL27502717 0.89 TACR1 (0.52) NLRP3ALDH1A1ACACBTACR1POLB
SCHEMBL6749422 0.89 TACR1 (0.52) NLRP3ALDH1A1ACACBTACR1POLB
SCHEMBL29166064 0.89 NLRP3 (0.59) NLRP3ALDH1A1ATMACACBTHRB
SCHEMBL3781118 0.86 GPR132 (0.55) ACACBFDPSLMNAGPR132
SCHEMBL6192282 0.86 GPR132 (0.55) ACACBFDPSLMNAGPR132
SCHEMBL30801050 0.86 GPR132 (0.55) ACACBFDPSLMNAGPR132
SCHEMBL3781113 0.86 GPR132 (0.55) ACACBFDPSLMNAGPR132
SCHEMBL23093209 0.86 NLRP3 (0.56) NLRP3ALDH1A1ATMTHRBCYP2C9
SCHEMBL15180408 0.86 NLRP3 (0.56) NLRP3ALDH1A1ATMTHRBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014040709-A1 PYRIDOMYCIN BASED COMPOUNDS EXHIBITING AN ANTITUBERCULAR ACTIVITY ETH ZURICH (CH) 2014-03-20 WO disclosed
US-8067642-B2 Chiral phosphorous compounds Celtice Catalysts Limited, Nova UCD (IE) 2011-11-29 US disclosed
US-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS CELTIC CATALYSTS LIMITED (IE) 2010-07-01 US disclosed
US-7084250-B2 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-08-01 US disclosed
US-20040225109-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides AVENTIS PHARMA DEUTSCHLAND GMBH 2004-11-11 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 (2 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-20100168456-A1 CHIRAL PHOSPHOROUS COMPOUNDS RPP30, PLCB3, INPP5D NLRP3 4148/4885ALDH1A1 4513/4885ATM 3673/4885
US-20040225109-A1 Process for the preparation of acetyl-amidiniophenylalanyl-cyclohexylglycyl-pyridinioalaninamides SERPINC1, F12, F11 NLRP3 2799/4885ALDH1A1 1537/4885ATM 1935/4885

“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.