SCHEMBL16971080

SCHEMBL16971080

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.36
▸ PTGFR P43088 10/20 0.34
▸ AAK1 Q2M2I8 2/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ SERPINE1 P05121 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KCNQ4 P56696 1/20 0.31
▸ KCNQ5 Q9NR82 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
SCHEMBL16971266 0.95 SYK (0.34) SYKPTGFRAAK1AKT1ATM
SCHEMBL16971220 0.92 MAPT (0.34) SYKAAK1AKT1SERPINE1KDM4E
SCHEMBL16971210 0.91 SYK (0.33) SYKPTGFRAKT1
SCHEMBL16971188 0.91 ALDH1A1 (0.35) SYKPTGFRAAK1SERPINE1ATM
SCHEMBL16971116 0.90 SYK (0.34) SYKPTGFRAAK1AKT1SERPINE1
SCHEMBL16971174 0.88 ALDH1A1 (0.34) SYKAAK1SERPINE1KDM4EMAPT
SCHEMBL16971156 0.85 SYK (0.34) SYKPTGFRSERPINE1KDM4ENPC1
SCHEMBL16971270 0.84 SYK (0.32) SYKMAPT
SCHEMBL16971230 0.82 ALDH1A1 (0.35) SYKAAK1SERPINE1KDM4ENPC1
SCHEMBL16970595 0.82 CA1 (0.35) SYKAAK1AKT1ATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106132406-B β -substituted gamma-amino acids and analogs as chemotherapeutic agents 夸德里加生物科学公司 2020-03-27 — — CN disclosed
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
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

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 1536/4885AAK1 1709/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885PTGFR 1536/4885AAK1 1709/4885
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885PTGFR 1536/4885AAK1 1709/4885

“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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