SCHEMBL16971266

SCHEMBL16971266

Cc1ccc(N(CCCl)CCBr)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
▸ IDO1 P14902 1/20 0.34
▸ LMNA P02545 4/20 0.32
▸ PTGFR P43088 6/20 0.32
▸ ATM Q13315 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ TSHR P16473 2/20 0.31
▸ GMNN O75496 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL16971080 0.95 SYK (0.36) SYKPTGFRATMAAK1MAPT
SCHEMBL16971174 0.93 ALDH1A1 (0.34) SYKLMNAAAK1ALDH1A1MAPT
SCHEMBL16971220 0.88 MAPT (0.34) SYKLMNAAAK1ALDH1A1MAPT
SCHEMBL16971210 0.87 SYK (0.33) SYKPTGFRAKT1
SCHEMBL16971178 0.87 IDO1 (0.32) SYKIDO1
SCHEMBL16971188 0.86 ALDH1A1 (0.35) SYKLMNAPTGFRATMAAK1
SCHEMBL16971116 0.85 SYK (0.34) SYKLMNAPTGFRATMAAK1
SCHEMBL16971275 0.85 PTGFR (0.37) SYKIDO1LMNAPTGFRATM
SCHEMBL16970601 0.84 LMNA (0.33) IDO1LMNAAAK1SMN1; SMN2KMT2A
SCHEMBL16971156 0.81 SYK (0.34) SYKPTGFRMAPTKDM4E

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 4425/4885IDO1 1909/4885LMNA 3690/4885
US-20150218085-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885IDO1 1909/4885LMNA 3690/4885
US-20170246135-A1 BETA-SUBSTITUTED GAMMA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS SLC3A2, SLC7A1, SLC43A1 SYK 4425/4885IDO1 1909/4885LMNA 3690/4885

“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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