Sugi Predict

Sugi Predict / Compounds / SCHEMBL4747726

SCHEMBL4747726

SCHEMBL4747726

Cc1ccc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TOP2A P11388 9/20 0.36
▸ TOP2B Q02880 9/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CSNK2A2 P19784 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
SCHEMBL4747728 0.88 CYP3A4 (0.52) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL2082271 0.88 CYP3A4 (0.47) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL2082268 0.88 CYP3A4 (0.47) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL9147828 0.87 CYP3A4 (0.48) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL9147990 0.87 CYP3A4 (0.48) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL9147833 0.87 CYP3A4 (0.48) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL4747704 0.84 CYP3A4 (0.60) CYP3A4ALDH1A1POLBOPRM1KDM4E
SCHEMBL4747706 0.83 CYP3A4 (0.46) CYP3A4POLBKDM4ESMN1; SMN2CYP1A2
SCHEMBL2082062 0.82 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL2082061 0.82 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A

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-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885ALDH1A1 2730/4885POLB 173/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885ALDH1A1 2730/4885POLB 173/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885ALDH1A1 2730/4885POLB 173/4885

“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.