SCHEMBL16971116

SCHEMBL16971116

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ SERPINE1 P05121 1/20 0.32
▸ PTGFR P43088 6/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ KCNQ4 P56696 2/20 0.31
▸ KCNQ5 Q9NR82 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL16971236 0.92 MAPT (0.34) SYKAKT1SERPINE1MAPTKDM4E
SCHEMBL16971188 0.91 ALDH1A1 (0.35) SYKSERPINE1PTGFRATMMAPT
SCHEMBL16971080 0.90 SYK (0.36) SYKAKT1SERPINE1PTGFRATM
SCHEMBL16971266 0.85 SYK (0.34) SYKAKT1PTGFRATMMAPT
SCHEMBL16971156 0.85 SYK (0.34) SYKSERPINE1PTGFRMAPTKDM4E
SCHEMBL16971230 0.82 ALDH1A1 (0.35) SYKSERPINE1MAPTKDM4ENPC1
SCHEMBL16971210 0.82 SYK (0.33) SYKAKT1PTGFR
SCHEMBL16971178 0.82 IDO1 (0.32) SYK
SCHEMBL16971220 0.82 MAPT (0.34) SYKAKT1SERPINE1MAPTKDM4E
SCHEMBL16971048 0.80 SYK (0.41) SYKSERPINE1PTGFRATMMAPT

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 4425/4885AKT1 1222/4885SERPINE1 4564/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885AKT1 1222/4885SERPINE1 4564/4885
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885AKT1 1222/4885SERPINE1 4564/4885

“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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