SCHEMBL2184237

SCHEMBL2184237

Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.FBF

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.62
TOP2B Q02880 7/20 0.62
KCNH2 Q12809 6/20 0.59
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
OPRM1 P35372 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
OPRD1 P41143 1/20 0.54
KDM4E B2RXH2 2/20 0.50
PRKD3 O94806 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CLK2 P49760 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GSK3B P49841 1/20 0.48

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
SCHEMBL3136282 0.96 TOP2A (0.66) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL3984286 0.93 TOP2A (0.62) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10625970 0.87 TOP2A (0.61) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10330765 0.87 TOP2A (0.69) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL2182111 0.86 TOP2A (0.48) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9272261 0.86 TOP2A (0.54) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL4368210 0.85 KDM4E (0.62) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL500719 0.85 TOP2A (0.71) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL29463823 0.85 TOP2A (0.71) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10330766 0.85 ALDH1A1 (0.63) TOP2ATOP2BKCNH2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AQP1, GLUL, GATD3 TOP2A 23/4885TOP2B 62/4885KCNH2 61/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL TOP2A 68/4885TOP2B 113/4885KCNH2 324/4885

“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.