SCHEMBL2256557

SCHEMBL2256557

COC(=O)[C@H](C)NCCCBr

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.41
TSHR P16473 4/20 0.39
ZDHHC7 Q9NXF8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
BIRC2 Q13490 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.30
FURIN P09958 1/20 0.30

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
SCHEMBL2256554 1.00 CA14 (0.41) CA14TSHRZDHHC7SMN1; SMN2CA12
SCHEMBL2259944 0.85 METAP2 (0.38) TSHRZDHHC7SMN1; SMN2KMT2A
SCHEMBL2256244 0.85 LMNA (0.35) TSHR
SCHEMBL2256242 0.85 LMNA (0.35) TSHR
SCHEMBL2259941 0.85 METAP2 (0.38) TSHRZDHHC7SMN1; SMN2KMT2A
SCHEMBL2259067 0.82 CA12 (0.37) CA14CA12CA1CA2MEN1
SCHEMBL2259068 0.82 CA12 (0.37) CA14CA12CA1CA2MEN1
SCHEMBL6850000 0.82 CA1 (0.47) CA14TSHRZDHHC7CA12CA1
SCHEMBL5191381 0.82 CA1 (0.47) CA14TSHRZDHHC7CA12CA1
Hydrochloric Acid SCHEMBL4084373 0.80 CA1 (0.46) CA14TSHRZDHHC7CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242303-B2 Method of producing optically active N-(halopropyl) amino acid derivative NAGASE & CO., LTD. (JP) 2012-08-14 US claimed
EP-2192110-B1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL)AMINO ACID DERIVATIVE NAGASE & CO LTD (JP) 2016-05-04 EP disclosed
CN-101778815-B Method of producing optically active n-(halopropyl)amino acid derivative NAGASE & CO LTD 2013-05-01 CN disclosed
US-8242303-B2 Method of producing optically active N-(halopropyl) amino acid derivative NAGASE & CO., LTD. (JP) 2012-08-14 US disclosed
US-20110190527-A1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL) AMINO ACID DERIVATIVE NAGASE & CO., LTD. (JP) 2011-08-04 US disclosed
CN-101778815-A Method of producing optically active n-(halopropyl)amino acid derivative NAGASE & CO LTD 2010-07-14 CN disclosed
EP-2192110-A1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL)AMINO ACID DERIVATIVE Nagase & Co., Ltd. (JP) 2010-06-02 EP 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-20110190527-A1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL) AMINO ACID DERIVATIVE NPPA, NPEPPS, ALAD CA14 1026/4885TSHR 1997/4885ZDHHC7 403/4885

“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.