SCHEMBL18472382

SCHEMBL18472382

CB(O)N[C@H](CC(=O)OC(C)(C)C)Cc1ccc(N(CCCl)CCCl)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.32
▸ USP2 O75604 2/20 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
SCHEMBL18472386 0.94 CTSS (0.32) PAX8
SCHEMBL28528090 0.87 ATM (0.39) —
SCHEMBL28527895 0.87 ATM (0.39) —
SCHEMBL18472396 0.84 LMNA (0.30) —
SCHEMBL18472390 0.84 — —
SCHEMBL18472398 0.84 IDO1 (0.33) —
SCHEMBL18472392 0.82 MMP1 (0.32) —
SCHEMBL16979713 0.82 HCRTR1 (0.33) PAX8USP2
SCHEMBL18472383 0.81 CA2 (0.34) PAX8USP2
SCHEMBL28511515 0.81 CTSS (0.40) —

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 PAX8 1612/4885USP2 1670/4885
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof SLC7A1, SLC3A2, SLC43A1 PAX8 1575/4885USP2 1680/4885
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 PAX8 1612/4885USP2 1670/4885

“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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