SCHEMBL16279014

SCHEMBL16279014

CCC(NC(=O)OC(C)(C)C)(C(=O)O)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.43
DGAT1 O75907 1/20 0.41
CTSK P43235 7/20 0.38
CTSS P25774 6/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 2/20 0.35
CA2 P00918 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL16279015 1.00 PTPRB (0.43) PTPRBDGAT1CTSKCTSSMEN1
SCHEMBL4662942 0.88 PTPRB (0.45) PTPRBCTSKCTSSMEN1GAA
SCHEMBL31239054 0.85 DGAT1 (0.40) PTPRBDGAT1CTSKCTSSMEN1
SCHEMBL31239045 0.82 DGAT1 (0.42) PTPRBDGAT1CTSKCTSSMEN1
SCHEMBL5802532 0.80 CTSK (0.39) CTSKCTSSMEN1GAAKMT2A
SCHEMBL88463 0.77 DGAT1 (0.45) PTPRBDGAT1CTSKCTSSMEN1
SCHEMBL4792294 0.77 DGAT1 (0.45) PTPRBDGAT1CTSKCTSSMEN1
SCHEMBL29383045 0.77 DGAT1 (0.45) PTPRBDGAT1CTSKCTSSMEN1
SCHEMBL14746245 0.76 EPHX1 (0.41) CYP1A2CYP2C19
SCHEMBL28914965 0.76 PTPRB (0.44) PTPRBCTSKCTSSMEN1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-103889994-A Universal and stereospecific synthesis of gamma-unsaturated amino acids by Wittig reaction CENTRE NAT RECH SCIENT 2014-06-25 CN 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 PTPRB 4832/4885DGAT1 98/4885CTSK 3625/4885

“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.