SCHEMBL1491409

SCHEMBL1491409

C[C@H](O)C(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.70
CTSS P25774 4/20 0.70
MME P08473 3/20 0.61
ECE1 P42892 2/20 0.61
CTSK P43235 4/20 0.58
CTSB P07858 3/20 0.58
ATM Q13315 1/20 0.57
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
CTRB1 P17538 2/20 0.54
ELANE P08246 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL6389671 1.00 CTSL (0.70) CTSLCTSSMMEECE1CTSK
SCHEMBL320302 1.00 CTSL (0.70) CTSLCTSSMMEECE1CTSK
SCHEMBL6389667 1.00 CTSL (0.70) CTSLCTSSMMEECE1CTSK
SCHEMBL1491407 1.00 CTSL (0.70) CTSLCTSSMMEECE1CTSK
SCHEMBL1285941 1.00 CTSL (0.70) CTSLCTSSMMEECE1CTSK
SCHEMBL10663359 1.00 CTSL (0.70) CTSLCTSSMMEECE1CTSK
SCHEMBL1491412 1.00 CTSL (0.70) CTSLCTSSMMEECE1CTSK
SCHEMBL14561285 1.00 CTSL (0.70) CTSLCTSSMMEECE1CTSK
SCHEMBL4754315 0.91 CTSL (0.63) CTSLCTSSMMEECE1CTSK
SCHEMBL4754230 0.91 CTSL (0.63) CTSLCTSSMMEECE1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 CTSL 2032/4885CTSS 1102/4885MME 1756/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CTSL 848/4885CTSS 608/4885MME 644/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CTSL 2209/4885CTSS 1198/4885MME 1126/4885

“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.