SCHEMBL19730312

SCHEMBL19730312

COC(=O)C[C@@H](NBC=O)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL19730313 0.88 — —
SCHEMBL19730315 0.88 — —
SCHEMBL15930071 0.75 MAPT (0.36) BRD4MAPTRAB9A
SCHEMBL18268260 0.74 MGAM (0.35) MAPTRAB9A
SCHEMBL16979702 0.74 MGAM (0.35) MAPTRAB9A
SCHEMBL7973111 0.73 CACNA1B (0.41) MAPT
SCHEMBL19484763 0.72 HIF1A (0.38) —
SCHEMBL19730318 0.72 — —
SCHEMBL11484819 0.70 CYP1A2 (0.33) —
SCHEMBL13183261 0.67 BRD4 (0.39) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034847-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-07-31 — — US disclosed
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2018-07-10 — — US disclosed
US-20180078517-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2018-03-22 — — US disclosed
US-9861599-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-01-09 — — US disclosed
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-12-21 — — 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 (4 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-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof SLC7A1, SLC3A2, SLC43A1 BRD4 4612/4885MAPT 1956/4885RAB9A 1240/4885
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 BRD4 4661/4885MAPT 1800/4885RAB9A 1303/4885
US-20180078517-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC7A1, SLC3A2, SLC1A5 BRD4 4651/4885MAPT 1666/4885RAB9A 1159/4885
US-10034847-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents SLC7A1, SLC3A2, SLC1A5 BRD4 4651/4885MAPT 1666/4885RAB9A 1159/4885

“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.

Send feedback