SCHEMBL14009331

SCHEMBL14009331

CC(C)CS(=O)(=O)c1ccccc1CN

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KYNU Q16719 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.36
PNMT P11086 1/20 0.35
CA2 P00918 2/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
DPP4 P27487 1/20 0.33
CTSB P07858 1/20 0.33
LOX P28300 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
Hydrochloric Acid SCHEMBL1263253 0.98 ALOX5AP (0.38) ALOX5APFEN1KYNULOXL2PNMT
SCHEMBL4598904 0.81 PSIP1 (0.45) LOXL2PNMTCA2DPP4CTSB
Hydrochloric Acid SCHEMBL7370334 0.79 LOXL2 (0.44) LOXL2PNMTCA2DPP4CTSB
SCHEMBL11180737 0.78 MMP2 (0.51) KYNU
SCHEMBL14008635 0.78 LOXL2 (0.38) ALOX5APFEN1LOXL2PNMTDPP4
SCHEMBL5264466 0.78 KYNU (0.60) ALOX5APFEN1KYNUCA2
Hydrochloric Acid SCHEMBL28787363 0.77 LOXL2 (0.33) LOXL2CA2
SCHEMBL14009378 0.76 LOXL2 (0.40) ALOX5APFEN1LOXL2PNMTDPP4
Hydrochloric Acid SCHEMBL1262777 0.76 LOXL2 (0.39) ALOX5APFEN1LOXL2PNMTCA2
SCHEMBL4697110 0.76 ALOX5AP (0.39) ALOX5APFEN1KYNUPTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 ALOX5AP 2953/4885FEN1 2018/4885KYNU 1972/4885

“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.