SCHEMBL16072807

SCHEMBL16072807

CO/N=C(\C(=O)OS(C)(=O)=O)c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
PKM P14618 3/20 0.39
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 5/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GFER P55789 1/20 0.37
PTPN1 P18031 1/20 0.37
MAOB P27338 2/20 0.36
TP53 P04637 1/20 0.36
MAOA P21397 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5217865 0.86 CES2 (0.50) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL17426488 0.86 CES2 (0.50) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL5217871 0.86 CES2 (0.50) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL28072340 0.82 NPC1 (0.46) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL27816463 0.81 CES2 (0.47) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL2812477 0.79 CES2 (0.52) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL13983961 0.79 CES2 (0.52) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL4609969 0.79 CES2 (0.52) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL11457463 0.79 CES2 (0.52) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL3729528 0.77 CES2 (0.50) CES2CES1NPC1RAB9ASMN1; SMN2

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
US-20150111853-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME CORP. 2015-04-23 US disclosed
US-20150111853-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME CORP. 2015-04-23 US disclosed
US-9006421-B2 Cephalosporin compositions and methods of manufacture CUBIST PHARMACEUTICALS, INC. (US) 2015-04-14 US disclosed
US-9006421-B2 Cephalosporin compositions and methods of manufacture CUBIST PHARMACEUTICALS, INC. (US) 2015-04-14 US disclosed
US-20140274958-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME LLC 2014-09-18 US disclosed
US-20140274958-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME LLC 2014-09-18 US disclosed
US-20140274999-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME CORP. 2014-09-18 US disclosed
US-20140274999-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE MERCK SHARP & DOHME CORP. 2014-09-18 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-20140274999-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CYP3A7, SEPTIN7, PEPD CES2 32/4885CES1 202/4885NPC1 2105/4885
US-20140274958-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CYP3A7, SEPTIN7, PEPD CES2 32/4885CES1 202/4885NPC1 2105/4885
US-20150111853-A1 CEPHALOSPORIN COMPOSITIONS AND METHODS OF MANUFACTURE CYP3A7, SEPTIN7, PEPD CES2 32/4885CES1 202/4885NPC1 2105/4885

“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.