SCHEMBL1676668

SCHEMBL1676668

CS(=O)(=O)c1cccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)cn3-c3ccc(C=O)cc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.45
NR1H3 Q13133 9/20 0.45
RXRA P19793 8/20 0.45
PTGS2 P35354 4/20 0.41
HSD11B1 P28845 1/20 0.39
TP53 P04637 2/20 0.36
RIPK2 O43353 1/20 0.36
NOD2 Q9HC29 1/20 0.36
SCD O00767 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1676671 1.00 NR1H2 (0.45) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL1676065 0.90 NR1H2 (0.44) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL1676067 0.90 NR1H2 (0.44) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL1676419 0.86 MARS1 (0.41) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL1676417 0.86 MARS1 (0.41) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL1676667 0.86 NR1H2 (0.48) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL1676670 0.86 NR1H2 (0.48) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL1676123 0.86 NR1H2 (0.40) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL1676127 0.86 NR1H2 (0.40) NR1H2NR1H3RXRAPTGS2HSD11B1
SCHEMBL1677037 0.85 NR1H2 (0.40) NR1H2NR1H3RXRAPTGS2HSD11B1

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US 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 2585/4885NR1H3 2308/4885RXRA 2916/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE NR1H2 2585/4885NR1H3 2308/4885RXRA 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.