SCHEMBL1676065

SCHEMBL1676065

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.44
RXRA P19793 7/20 0.44
NR1H3 Q13133 6/20 0.44
PTGS2 P35354 3/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CRHBP P24387 1/20 0.40
RAB9A P51151 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CAMKK2 Q96RR4 1/20 0.39
HSD11B1 P28845 1/20 0.37
SRD5A2 P31213 1/20 0.37
RARG P13631 2/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL1676067 1.00 NR1H2 (0.44) NR1H2RXRANR1H3PTGS2KDM4E
SCHEMBL1676419 0.93 MARS1 (0.41) NR1H2RXRANR1H3PTGS2KDM4E
SCHEMBL1676417 0.93 MARS1 (0.41) NR1H2RXRANR1H3PTGS2KDM4E
SCHEMBL1676671 0.90 NR1H2 (0.45) NR1H2RXRANR1H3PTGS2SMN1; SMN2
SCHEMBL1676668 0.90 NR1H2 (0.45) NR1H2RXRANR1H3PTGS2SMN1; SMN2
SCHEMBL1676667 0.90 NR1H2 (0.48) NR1H2RXRANR1H3PTGS2NPC1
SCHEMBL1676670 0.90 NR1H2 (0.48) NR1H2RXRANR1H3PTGS2NPC1
SCHEMBL1676260 0.88 SMN1; SMN2 (0.38) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676258 0.88 SMN1; SMN2 (0.38) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676316 0.88 NR1H2 (0.45) NR1H2RXRANR1H3PTGS2KDM4E

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 7 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
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
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 2585/4885RXRA 2916/4885NR1H3 2308/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE NR1H2 2585/4885RXRA 2916/4885NR1H3 2308/4885

“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.