SCHEMBL18472389

SCHEMBL18472389

COC(=O)c1ccc(N(CCCl)CCCl)cc1C[C@@H](CC(=O)OC(C)(C)C)NB(C)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL18472398 0.88 IDO1 (0.33) MEN1NPC1RAB9AKMT2AIDO1
SCHEMBL18472385 0.88 IDO1 (0.33) MEN1NPC1RAB9AKMT2AIDO1
SCHEMBL19730324 0.88 IDO1 (0.33) MEN1NPC1RAB9AKMT2AIDO1
SCHEMBL18472404 0.85 MEN1 (0.32) MEN1NPC1RAB9AKMT2AIDO1
SCHEMBL18472402 0.85 IDO1 (0.31) IDO1LMNA
SCHEMBL18472387 0.82 GAA (0.40) —
SCHEMBL16979737 0.81 ALDH1A1 (0.40) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL18472406 0.80 MTNR1A (0.34) MEN1KMT2A
SCHEMBL18472363 0.80 SMN1; SMN2 (0.33) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL18472403 0.79 ALDH1A1 (0.33) —

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 MEN1 3165/4885NPC1 212/4885RAB9A 1303/4885
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof SLC7A1, SLC3A2, SLC43A1 MEN1 3342/4885NPC1 203/4885RAB9A 1240/4885
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 MEN1 3165/4885NPC1 212/4885RAB9A 1303/4885

“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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