SCHEMBL1676034

SCHEMBL1676034

CS(=O)(=O)c1cccc(-c2ccc(C=Cc3nc(-c4ccc(F)cc4F)cn3-c3ccc(C(=O)O)cc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
CAMKK2 Q96RR4 1/20 0.41
NR1H2 P55055 8/20 0.40
RXRA P19793 8/20 0.40
NR1H3 Q13133 7/20 0.40
PTGS1 P23219 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
PTGER1 P34995 1/20 0.36
DCK P27707 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
SCHEMBL1676032 1.00 PTGS2 (0.43) PTGS2CAMKK2NR1H2RXRANR1H3
SCHEMBL1677004 0.90 NR1H2 (0.48) PTGS2NR1H2RXRANR1H3PTGS1
SCHEMBL1677000 0.90 NR1H2 (0.48) PTGS2NR1H2RXRANR1H3PTGS1
SCHEMBL1676065 0.86 NR1H2 (0.44) PTGS2CAMKK2NR1H2RXRANR1H3
SCHEMBL1676067 0.86 NR1H2 (0.44) PTGS2CAMKK2NR1H2RXRANR1H3
SCHEMBL1676318 0.83 NR1H2 (0.45) PTGS2CAMKK2NR1H2RXRANR1H3
SCHEMBL1676316 0.83 NR1H2 (0.45) PTGS2CAMKK2NR1H2RXRANR1H3
SCHEMBL1676419 0.79 MARS1 (0.41) PTGS2CAMKK2NR1H2RXRANR1H3
SCHEMBL1676417 0.79 MARS1 (0.41) PTGS2CAMKK2NR1H2RXRANR1H3
SCHEMBL1676667 0.76 NR1H2 (0.48) PTGS2NR1H2RXRANR1H3

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
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US claimed
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 PTGS2 1321/4885CAMKK2 1387/4885NR1H2 2585/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE PTGS2 1321/4885CAMKK2 1387/4885NR1H2 2585/4885

“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.