Sugi Predict

Sugi Predict / Compounds / SCHEMBL17035356

SCHEMBL17035356

SCHEMBL17035356

COc1ccc(C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.47
▸ ACHE P22303 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39

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
SCHEMBL25179491 0.88 AAK1 (0.40) AAK1
SCHEMBL15223320 0.84 REN (0.41) LDHAHTTKDM4EMITFALDH1A1
SCHEMBL18928692 0.83 ALDH1A1 (0.52) LDHAHTTALDH1A1LMNARAB9A
SCHEMBL7515946 0.83 ALDH1A1 (0.52) LDHAHTTALDH1A1LMNARAB9A
SCHEMBL6317701 0.82 CTSS (0.46) AAK1PPARGPPARA
SCHEMBL7248901 0.82 CTSS (0.46) AAK1PPARGPPARA
SCHEMBL1401163 0.82 CTSS (0.46) AAK1PPARGPPARA
SCHEMBL20035764 0.81 REN (0.40) HTTKDM4EMITFALDH1A1AAK1
SCHEMBL3776724 0.81 LDHA (0.54) LDHAACHEPPARGPPARA
SCHEMBL6942693 0.81 LDHA (0.54) LDHAACHEPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259846-B2 Bouvardin derivatives and therapeutic uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2019-04-16 — — US disclosed
US-20170218025-A1 BOUVARDIN DERIVATIVES AND THERAPEUTIC USES THEREOF SUVICA, INC. 2017-08-03 — — US disclosed
US-20170218025-A1 BOUVARDIN DERIVATIVES AND THERAPEUTIC USES THEREOF SUVICA, INC. 2017-08-03 — — US disclosed
US-9452215-B2 Bourvadin derivatives and therapeutic uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2016-09-27 — — US disclosed
US-9452215-B2 Bourvadin derivatives and therapeutic uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2016-09-27 — — US disclosed
US-20150238562-A1 BOURVADIN DERIVATIVES AND THERAPEUTIC USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO 2015-08-27 — — US disclosed
US-20150238562-A1 BOURVADIN DERIVATIVES AND THERAPEUTIC USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO 2015-08-27 — — 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-10259846-B2 Bouvardin derivatives and therapeutic uses thereof EIF4E, EIF4EBP1, RPL30 LDHA 2685/4885ACHE 4813/4885HTT 2390/4885
US-20170218025-A1 BOUVARDIN DERIVATIVES AND THERAPEUTIC USES THEREOF EIF4E, EIF4EBP1, RPL30 LDHA 2685/4885ACHE 4813/4885HTT 2390/4885
US-20150238562-A1 BOURVADIN DERIVATIVES AND THERAPEUTIC USES THEREOF RPL27, EIF4E, RPL30 LDHA 3556/4885ACHE 4498/4885HTT 2189/4885

“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.