SCHEMBL1676587

SCHEMBL1676587

COc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)cc1NS(=O)(=O)CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 12/20 0.38
SUV39H2 Q9H5I1 2/20 0.35
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
PTGDR Q13258 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL1676585 1.00 ACLY (0.38) ACLYSUV39H2KDM4ENPC1CRHBP
SCHEMBL1676622 0.95 SUV39H2 (0.36) ACLYSUV39H2KDM4ENPC1CRHBP
SCHEMBL1676627 0.95 SUV39H2 (0.36) ACLYSUV39H2KDM4ENPC1CRHBP
SCHEMBL1676404 0.91 ACLY (0.41) ACLYSUV39H2KDM4ENPC1CRHBP
SCHEMBL1676407 0.91 ACLY (0.41) ACLYSUV39H2KDM4ENPC1CRHBP
SCHEMBL1676730 0.90 DRD2 (0.39) ACLY
SCHEMBL1676728 0.90 DRD2 (0.39) ACLY
SCHEMBL1676368 0.88 KDM4E (0.39) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676370 0.88 KDM4E (0.39) KDM4ENPC1CRHBPRAB9ACRHR2
SCHEMBL1676527 0.87 RAB9A (0.37) KDM4ENPC1CRHBPRAB9ACRHR2

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ACLY 1839/4885SUV39H2 3740/4885KDM4E 733/4885

“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.