SCHEMBL16971156

SCHEMBL16971156

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.34
▸ PTGFR P43088 6/20 0.32
▸ CA12 O43570 5/20 0.31
▸ CA1 P00915 5/20 0.31
▸ CA2 P00918 5/20 0.31
▸ CA9 Q16790 5/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KCNQ4 P56696 1/20 0.31
▸ KCNQ5 Q9NR82 1/20 0.31
▸ SERPINE1 P05121 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
SCHEMBL16971178 0.96 IDO1 (0.32) SYKCA12CA1CA2CA9
SCHEMBL16971210 0.96 SYK (0.33) SYKPTGFR
SCHEMBL16971101 0.93 MAPT (0.32) SYKCA12CA1CA2CA9
SCHEMBL16971159 0.89 ALDH1A1 (0.32) CA12CA1CA2CA9MAPT
SCHEMBL16971270 0.89 SYK (0.32) SYKMAPT
SCHEMBL16971188 0.86 ALDH1A1 (0.35) SYKPTGFRKDM4ENPC1MAPT
SCHEMBL16971080 0.85 SYK (0.36) SYKPTGFRKDM4ENPC1MAPT
SCHEMBL16971116 0.85 SYK (0.34) SYKPTGFRKDM4ENPC1MAPT
SCHEMBL16970708 0.84 CA1 (0.36) CA1CA2CA9KDM4ENPC1
SCHEMBL16971097 0.82 GABBR2 (0.35) —

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 6 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
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 1536/4885CA12 2782/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885PTGFR 1536/4885CA12 2782/4885
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885PTGFR 1536/4885CA12 2782/4885

“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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