SCHEMBL17038559

SCHEMBL17038559

COc1ccc(C[C@@H](C(N)=O)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)N)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ MMP1 P03956 3/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL17038560 0.87 SLC6A4 (0.50) SLC6A4ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL19200474 0.81 SLC6A4 (0.49) SLC6A4ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL7329609 0.80 SLC6A4 (0.46) SLC6A4ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL20901254 0.78 SLC6A4 (0.39) SLC6A4ALDH1A1LDHAACACBMMP1
SCHEMBL10495976 0.73 MMP1 (0.41) MMP1
SCHEMBL9502392 0.73 MMP1 (0.41) MMP1
SCHEMBL16462269 0.73 ALDH1A1 (0.54) SLC6A4ALDH1A1CYP2C19LDHAMMP1
SCHEMBL16228054 0.73 CA2 (0.58) SLC6A4ALDH1A1LDHAMMP1
SCHEMBL16228052 0.73 CA2 (0.58) SLC6A4ALDH1A1LDHAMMP1
SCHEMBL7276267 0.72 MMP1 (0.41) MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150238562-A1 BOURVADIN DERIVATIVES AND THERAPEUTIC USES THEREOF RPL27, EIF4E, RPL30 SLC6A4 4467/4885ALDH1A1 3270/4885CYP1A2 4205/4885

“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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