SCHEMBL18472310

SCHEMBL18472310

CB(O)N[C@H](CC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(N(CCCl)CCCl)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ BRD4 O60885 1/20 0.32
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL28511517 0.86 CACNA1B (0.39) EGFRERBB2LMNASMN1; SMN2USP30
SCHEMBL28511519 0.86 CACNA1B (0.39) EGFRERBB2LMNASMN1; SMN2USP30
SCHEMBL18472305 0.85 HDAC4 (0.39) EGFRERBB2LMNASMN1; SMN2
SCHEMBL18472306 0.84 USP30 (0.36) SMN1; SMN2USP30BRD4KMT2A
SCHEMBL18472308 0.80 MAPT (0.44) SMN1; SMN2KMT2A
SCHEMBL18472303 0.79 LMNA (0.32) EGFRERBB2LMNASMN1; SMN2KMT2A
SCHEMBL16979717 0.79 LMNA (0.32) EGFRERBB2LMNASMN1; SMN2KMT2A
SCHEMBL18427942 0.78 CTSS (0.39) EGFRERBB2LMNASMN1; SMN2
SCHEMBL18472398 0.74 IDO1 (0.33) EGFRERBB2LMNASMN1; SMN2KMT2A
SCHEMBL18472385 0.74 IDO1 (0.33) EGFRERBB2LMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-12-21 — — US disclosed
US-9783487-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2017-10-10 — — US disclosed
US-20170036992-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-02-09 — — 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-20170036992-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 EGFR 1560/4885ERBB2 1169/4885LMNA 3589/4885
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof SLC7A1, SLC3A2, SLC43A1 EGFR 1355/4885ERBB2 1099/4885LMNA 3683/4885
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 EGFR 1560/4885ERBB2 1169/4885LMNA 3589/4885

“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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