Sugi Predict

Sugi Predict / Compounds / SCHEMBL4747738

SCHEMBL4747738

SCHEMBL4747738

Cc1c(F)cn2c(=O)c(C(=O)O)cc3c2c1OC[C@@H]3C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 4/20 0.39
▸ TOP2B Q02880 4/20 0.39
▸ KDM4E B2RXH2 7/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALB P02768 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ AADAT Q8N5Z0 2/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL8568882 0.82 KDM4E (0.57) TOP2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8576863 0.82 KDM4E (0.57) TOP2AKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9074218 0.81 KDM4E (0.45) TOP2ATOP2BKDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL9073984 0.81 KDM4E (0.45) TOP2ATOP2BKDM4EKMT2AALDH1A1
Hydrochloric Acid SCHEMBL8570439 0.81 KDM4E (0.56) TOP2AKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9051504 0.79 AADAT (0.39) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL8574268 0.79 TOP2A (0.45) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL8565469 0.79 TOP2A (0.45) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL8569181 0.79 KDM4E (0.34) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL4747781 0.75 NOTUM (0.39) TOP2ATOP2BKDM4EHRH3KCNH2

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 TOP2A 89/4885TOP2B 149/4885KDM4E 1244/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 TOP2A 89/4885TOP2B 149/4885KDM4E 1244/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 TOP2A 89/4885TOP2B 149/4885KDM4E 1244/4885

“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.

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