SCHEMBL4307638

SCHEMBL4307638

CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)NC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TNF P01375 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CCR6 P51684 1/20 0.46
RUNX1 Q01196 1/20 0.46
CBFB Q13951 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
NOD2 Q9HC29 1/20 0.46
GPR35 Q9HC97 1/20 0.46
NOD1 Q9Y239 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PTGS2 P35354 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL14289418 1.00 EPHX2 (0.52) EPHX2MAPTLMNAALDH1A1NPSR1
SCHEMBL26211010 0.87 NOS2 (0.54) ALDH1A1PPARGPPARANOS2POLB
SCHEMBL8246144 0.86 BACE1 (0.53) NPSR1PTGS2MMP8KMT2A
SCHEMBL973730 0.86 BACE1 (0.53) NPSR1PTGS2MMP8KMT2A
Hydrochloric Acid SCHEMBL30574556 0.86 NOS2 (0.53) ALDH1A1PPARGPPARANOS2POLB
SCHEMBL2854351 0.85 TACR1 (0.55) EPHX2MAPTLMNAALDH1A1PTGS2
SCHEMBL2854353 0.85 TACR1 (0.55) EPHX2MAPTLMNAALDH1A1PTGS2
SCHEMBL22240360 0.84 EPHX2 (0.52) EPHX2MAPTLMNAALDH1A1NPSR1
SCHEMBL4765072 0.84 MMP8 (0.59) EPHX2ALDH1A1TP53RAB9APPARG
SCHEMBL6322057 0.84 MMP8 (0.59) EPHX2ALDH1A1TP53RAB9APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME NAGASE & CO., LTD. (JP) 2009-10-29 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 (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-20090270614-A1 OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME BCAT1, BCAT2, AADAT EPHX2 2319/4885MAPT 1248/4885LMNA 4073/4885

“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.