SCHEMBL16971188

SCHEMBL16971188

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ SERPINE1 P05121 1/20 0.33
▸ PTGFR P43088 6/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ KCNQ4 P56696 1/20 0.32
▸ KCNQ5 Q9NR82 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ LMNA P02545 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
SCHEMBL16971230 0.92 ALDH1A1 (0.35) ALDH1A1MAPTGAAPKMHTT
SCHEMBL16971080 0.91 SYK (0.36) MAPTSYKSERPINE1PTGFRATM
SCHEMBL16971116 0.91 SYK (0.34) ALDH1A1MAPTGAASYKSERPINE1
SCHEMBL16971283 0.89 PTGFR (0.37) ALDH1A1GAASYKPTGFRKDM4E
SCHEMBL16971266 0.86 SYK (0.34) ALDH1A1MAPTHTTSYKPTGFR
SCHEMBL16971156 0.86 SYK (0.34) MAPTSYKSERPINE1PTGFRKDM4E
SCHEMBL16971210 0.83 SYK (0.33) SYKPTGFR
SCHEMBL16971178 0.83 IDO1 (0.32) SYK
SCHEMBL16971220 0.82 MAPT (0.34) ALDH1A1MAPTGAASYKSERPINE1
SCHEMBL16971236 0.82 MAPT (0.34) ALDH1A1MAPTGAASYKSERPINE1

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 ALDH1A1 632/4885MAPT 718/4885GAA 958/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 ALDH1A1 632/4885MAPT 718/4885GAA 958/4885
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 ALDH1A1 632/4885MAPT 718/4885GAA 958/4885

“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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