SCHEMBL1676279

SCHEMBL1676279

COc1cc(-c2ccc(-c3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)ccc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.40
ACLY P53396 3/20 0.40
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
P2RX7 Q99572 3/20 0.38
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
PYGL P06737 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
SCHEMBL1676643 0.94 NLRP3 (0.43) NPC1RAB9AHAVCR2ACLYP2RX7
SCHEMBL1676589 0.90 SUV39H2 (0.39) SUV39H2NPC1RAB9AKDM4ECRHBP
SCHEMBL1676592 0.90 SUV39H2 (0.39) SUV39H2NPC1RAB9AKDM4ECRHBP
SCHEMBL1676275 0.86 SUV39H2 (0.40) SUV39H2NPC1RAB9AKDM4ECRHBP
SCHEMBL1676359 0.86 NPC1 (0.45) SUV39H2NPC1RAB9AKDM4ECRHBP
SCHEMBL1676404 0.84 ACLY (0.41) SUV39H2NPC1RAB9AKDM4ECRHBP
SCHEMBL1676407 0.84 ACLY (0.41) SUV39H2NPC1RAB9AKDM4ECRHBP
SCHEMBL1676020 0.83 NPC1 (0.56) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1482090 0.81 NPC1 (0.44) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1676627 0.81 SUV39H2 (0.36) SUV39H2NPC1RAB9AKDM4ECRHBP

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 6 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-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 SUV39H2 3740/4885NPC1 3228/4885RAB9A 3396/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE SUV39H2 3740/4885NPC1 3228/4885RAB9A 3396/4885

“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.