SCHEMBL14743953

SCHEMBL14743953

C=CCOC(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CTSK P43235 8/20 0.40
▸ CTSS P25774 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35

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
SCHEMBL14743954 1.00 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL17232237 0.88 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL25749303 0.88 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL22930076 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL6722519 0.85 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL6722516 0.85 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL6719127 0.85 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1763873 0.84 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1317487 0.84 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15418649 0.84 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

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
CN-107253968-B Universal and stereospecific synthesis of gamma, delta-unsaturated amino acids by Wittig reaction 国家科学研究中心 2020-03-13 — — CN disclosed
EP-2751124-B1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NAT RECH SCIENT (FR) 2018-05-16 — — EP disclosed
CN-107253968-A Pass through the γ of witig reaction, the general and stereoselectivesynthesis of δ unsaturation amino acid 国家科学研究中心 2017-10-17 — — CN disclosed
US-9242925-B2 Versatile and stereospecific synthesis of γ,δ-unsaturated amino acids by Wittig reaction CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-01-26 — — US disclosed
US-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2014-12-11 — — US disclosed
EP-2751124-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION Centre National de la Recherche Scientifique (CNRS) (FR) 2014-07-09 — — EP disclosed
CN-103889994-A Universal and stereospecific synthesis of gamma-unsaturated amino acids by Wittig reaction CENTRE NAT RECH SCIENT 2014-06-25 — — CN disclosed
WO-2013030193-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-03-07 — — 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 (1 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-20140364339-A1 VERSATILE AND STEREOSPECIFIC SYNTHESIS OF GAMMA,DELTA -UNSATURATED AMINO ACIDS BY WITTIG REACTION BCAT1, BCAT2, ALAD SMN1; SMN2 3088/4885CYP1A2 156/4885CYP2C9 252/4885

“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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