SCHEMBL17038560

SCHEMBL17038560

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.50
▸ CYP2C19 P33261 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ LDHA P00338 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.42
▸ ACACB O00763 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ F2RL1 P55085 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CYP3A4 P08684 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
SCHEMBL19200474 0.88 SLC6A4 (0.49) SLC6A4CYP2C19CYP1A2CYP2D6LDHA
SCHEMBL7329609 0.87 SLC6A4 (0.46) SLC6A4CYP2C19CYP1A2CYP2D6LDHA
SCHEMBL17038559 0.87 SLC6A4 (0.43) SLC6A4CYP2C19CYP1A2CYP2D6LDHA
SCHEMBL3777215 0.79 LDHA (0.46) SLC6A4CYP2C19CYP1A2CYP2D6LDHA
SCHEMBL10495976 0.78 MMP1 (0.41) —
SCHEMBL9502392 0.78 MMP1 (0.41) —
SCHEMBL7276240 0.77 MMP1 (0.41) —
SCHEMBL7276267 0.77 MMP1 (0.41) —
SCHEMBL9407674 0.76 LDHA (0.46) SLC6A4CYP2C19CYP1A2CYP2D6LDHA
SCHEMBL18647235 0.75 LDHA (0.51) SLC6A4LDHA

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 4467/4885CYP2C19 3573/4885CYP1A2 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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