SCHEMBL16971210

SCHEMBL16971210

Cc1ccc(N(CCBr)CCOS(C)(=O)=O)cc1C(CNC(=O)OC(C)(C)C)CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.33
▸ PTGFR P43088 6/20 0.31
▸ AKT1 P31749 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
SCHEMBL16971156 0.96 SYK (0.34) SYKPTGFR
SCHEMBL16971270 0.93 SYK (0.32) SYK
SCHEMBL16971178 0.92 IDO1 (0.32) SYK
SCHEMBL16971080 0.91 SYK (0.36) SYKPTGFRAKT1
SCHEMBL16971101 0.89 MAPT (0.32) SYK
SCHEMBL16971266 0.87 SYK (0.34) SYKPTGFRAKT1
SCHEMBL16970717 0.85 CA1 (0.34) —
SCHEMBL16971159 0.85 ALDH1A1 (0.32) —
SCHEMBL16971135 0.84 GAA (0.32) —
SCHEMBL16971220 0.84 MAPT (0.34) SYKAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9937139-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2018-04-10 — — US disclosed
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2017-08-31 — — US disclosed
US-9682921-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2017-06-20 — — US disclosed
EP-3102194-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS Quadriga Biosciences, Inc. (US) 2016-12-14 — — EP disclosed
US-20160289168-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2016-10-06 — — US disclosed
US-9394236-B2 β-substituted γ-amino acids and analogs as chemotherapeutic agents QUADRIGA BIOSCIENCES, INC. (US) 2016-07-19 — — US disclosed
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. 2015-08-06 — — US disclosed
WO-2015117146-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS QUADRIGA BIOSCIENCES, INC. (US) 2015-08-06 — — WO 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-20160289168-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885PTGFR 1536/4885AKT1 1222/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885PTGFR 1536/4885AKT1 1222/4885
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885PTGFR 1536/4885AKT1 1222/4885

“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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