Sugi Predict

Sugi Predict / Compounds / SCHEMBL4747728

SCHEMBL4747728

SCHEMBL4747728

Cc1ccc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c2c1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ KCNH2 Q12809 4/20 0.38
▸ TOP2A P11388 7/20 0.38
▸ TOP2B Q02880 7/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL27511886 0.89 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL2082062 0.89 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL2082061 0.89 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL4747726 0.88 CYP3A4 (0.48) CYP3A4KDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL4747704 0.86 CYP3A4 (0.60) CYP3A4KDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL4747706 0.85 CYP3A4 (0.46) CYP3A4KDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL4747739 0.83 KCNH2 (0.49) KDM4ESMN1; SMN2CYP1A2KCNH2TOP2A
SCHEMBL4747718 0.83 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL4747695 0.81 KCNH2 (0.48) CYP3A4KDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL9146697 0.81 CYP3A4 (0.48) 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 153/4885KDM4E 1244/4885SMN1; SMN2 3878/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885KDM4E 1244/4885SMN1; SMN2 3878/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885KDM4E 1244/4885SMN1; SMN2 3878/4885

“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.