SCHEMBL1677004

SCHEMBL1677004

CCOC(=O)c1ccc(-n2cc(-c3ccc(F)cc3F)nc2C=Cc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.48
CHRNA7 P36544 1/20 0.40
RXRA P19793 6/20 0.38
NR1H3 Q13133 6/20 0.38
PTGS2 P35354 5/20 0.38
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
PDK2 Q15119 1/20 0.35
PTGS1 P23219 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL1677000 1.00 NR1H2 (0.48) NR1H2CHRNA7RXRANR1H3PTGS2
SCHEMBL1676032 0.90 PTGS2 (0.43) NR1H2RXRANR1H3PTGS2PTGS1
SCHEMBL1676034 0.90 PTGS2 (0.43) NR1H2RXRANR1H3PTGS2PTGS1
SCHEMBL1676670 0.87 NR1H2 (0.48) NR1H2CHRNA7RXRANR1H3PTGS2
SCHEMBL1676667 0.87 NR1H2 (0.48) NR1H2CHRNA7RXRANR1H3PTGS2
SCHEMBL1676459 0.84 MAPT (0.39) CHRNA7GABRA2GABRB2
SCHEMBL1676456 0.84 MAPT (0.39) CHRNA7GABRA2GABRB2
SCHEMBL1676847 0.77 MAPT (0.40) NR1H2CHRNA7PTGS2GABRA2GABRB2
SCHEMBL1676849 0.77 MAPT (0.40) NR1H2CHRNA7PTGS2GABRA2GABRB2
SCHEMBL1676065 0.76 NR1H2 (0.44) NR1H2RXRANR1H3PTGS2

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 NR1H2 2585/4885CHRNA7 4104/4885RXRA 2916/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE NR1H2 2585/4885CHRNA7 4104/4885RXRA 2916/4885

“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.