SCHEMBL4921240

SCHEMBL4921240

COC(=O)c1c(-c2ccc(C#N)cc2)c(C)n(Cc2cnc(Cl)c(CO)c2)c1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.64
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PPARD Q03181 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4914113 0.93 AR (0.66) ARCYP11B2PTGDR2PPARDTDP1
SCHEMBL4910684 0.87 AR (0.52) ARHSP90AA1HSP90B1LMNATDP1
SCHEMBL4919387 0.86 AR (0.81) ARCYP11B2PTGDR2PPARD
SCHEMBL4919229 0.83 AR (0.68) ARPTGDR2LMNATDP1
SCHEMBL4917879 0.80 AR (0.49) ARLMNATDP1
SCHEMBL4921614 0.79 AR (0.64) ARCYP11B1CYP11B2KDM4ELMNA
SCHEMBL4921936 0.79 AR (1.00) ARCYP11B1CYP11B2PTGDR2
SCHEMBL4920919 0.79 AR (0.81) ARCYP11B2PTGDR2
SCHEMBL4922214 0.78 AR (0.89) ARPTGDR2GRIN1GRIN2B
SCHEMBL4921463 0.77 AR (0.81) ARPTGDR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R AR 1/4885HSP90AA1 1623/4885HSP90B1 4026/4885

“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.