SCHEMBL1676950

SCHEMBL1676950

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2C=Cc2ccc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.36
SUV39H2 Q9H5I1 4/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
DRD2 P14416 1/20 0.33
HTT P42858 1/20 0.32
ABCB1 P08183 1/20 0.32
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
KDR P35968 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
BACE1 P56817 1/20 0.31
PRKDC P78527 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
CYP17A1 P05093 1/20 0.31

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
SCHEMBL1676949 1.00 NLRP3 (0.36) NLRP3SUV39H2POLBMAPTDRD2
SCHEMBL1676280 0.92 MEN1 (0.36) NLRP3SUV39H2POLBMAPTDRD2
SCHEMBL1676282 0.92 MEN1 (0.36) NLRP3SUV39H2POLBMAPTDRD2
SCHEMBL1676580 0.90 DRD2 (0.40) NLRP3SUV39H2POLBMAPTDRD2
SCHEMBL1676578 0.90 DRD2 (0.40) NLRP3SUV39H2POLBMAPTDRD2
SCHEMBL1676653 0.88 ACVR1B (0.33) NLRP3SUV39H2POLBMAPTPIK3CD
SCHEMBL1676657 0.88 ACVR1B (0.33) NLRP3SUV39H2POLBMAPTPIK3CD
SCHEMBL1676733 0.87 P2RX7 (0.36) NLRP3SUV39H2POLBMAPTDRD2
SCHEMBL1676735 0.87 P2RX7 (0.36) NLRP3SUV39H2POLBMAPTDRD2
SCHEMBL1676438 0.87 PYGL (0.35) NLRP3SUV39H2ABCB1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE NLRP3 1196/4885SUV39H2 3740/4885POLB 4497/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE NLRP3 1196/4885SUV39H2 3740/4885POLB 4497/4885

“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.