SCHEMBL1676622

SCHEMBL1676622

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CRHBP P24387 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACLY P53396 3/20 0.34
P2RX7 Q99572 2/20 0.33
DRD2 P14416 1/20 0.33
ENPP2 Q13822 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1676627 1.00 SUV39H2 (0.36) SUV39H2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676585 0.95 ACLY (0.38) SUV39H2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676587 0.95 ACLY (0.38) SUV39H2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676730 0.95 DRD2 (0.39) ACLYDRD2LMNAHPGDHSD17B10
SCHEMBL1676728 0.95 DRD2 (0.39) ACLYDRD2LMNAHPGDHSD17B10
SCHEMBL1676592 0.91 SUV39H2 (0.39) SUV39H2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676589 0.91 SUV39H2 (0.39) SUV39H2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676370 0.88 KDM4E (0.39) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676368 0.88 KDM4E (0.39) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676044 0.88 SUV39H2 (0.36) SUV39H2KDM4ENPC1CRHBPRAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523903-A 2007-08-23 JP claimed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP claimed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO claimed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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
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 3740/4885KDM4E 733/4885NPC1 3228/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE SUV39H2 3740/4885KDM4E 733/4885NPC1 3228/4885

“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.