SCHEMBL16646237

SCHEMBL16646237

CC(=O)C(NC(=O)OCc1ccccc1)C(C)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.68
CTSS P25774 4/20 0.68
CTSK P43235 5/20 0.57
CTSB P07858 4/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.54
CTRB1 P17538 2/20 0.52
ELANE P08246 1/20 0.52
MME P08473 2/20 0.52
ECE1 P42892 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
SCHEMBL6389667 0.90 CTSL (0.70) CTSLCTSSCTSKCTSBMEN1
SCHEMBL10663359 0.90 CTSL (0.70) CTSLCTSSCTSKCTSBMEN1
SCHEMBL2678259 0.90 CTSL (0.70) CTSLCTSSCTSKCTSBMEN1
SCHEMBL14561285 0.90 CTSL (0.70) CTSLCTSSCTSKCTSBMEN1
SCHEMBL6389671 0.90 CTSL (0.70) CTSLCTSSCTSKCTSBMEN1
SCHEMBL1491412 0.90 CTSL (0.70) CTSLCTSSCTSKCTSBMEN1
SCHEMBL1491407 0.90 CTSL (0.70) CTSLCTSSCTSKCTSBMEN1
SCHEMBL2678260 0.90 CTSL (0.70) CTSLCTSSCTSKCTSBMEN1
SCHEMBL20538251 0.90 CTSL (0.70) CTSLCTSSCTSKCTSBMEN1
SCHEMBL1285941 0.90 CTSL (0.70) CTSLCTSSCTSKCTSBMEN1

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-9802946-B2 NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2017-10-31 US disclosed
US-9593145-B2 Secondary structure stabilized NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2017-03-14 US disclosed
US-9512133-B2 NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2016-12-06 US disclosed
US-20160115197-A1 SECONDARY STRUCTURE STABILIZED NMDA RECEPTOR MODULATORS AND USES THEREOF INNOVIVA TRC HOLDINGS LLC 2016-04-28 US disclosed
US-20150336969-A1 NMDA Receptor Modulators and Uses Thereof NAUREX, INC. 2015-11-26 US disclosed
US-9101612-B2 Secondary structure stabilized NMDA receptor modulators and uses thereof NORTHWESTERN UNIVERSITY (US) 2015-08-11 US disclosed
US-20150105364-A1 NMDA Receptor Modulators and Uses Thereof NORTHWESTERN UNIVERSITY (US) 2015-04-16 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-20150336969-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CTSL 4016/4885CTSS 4517/4885CTSK 3566/4885
US-20150105364-A1 NMDA Receptor Modulators and Uses Thereof GRIN1, GRIN2A, GRIN3A CTSL 4016/4885CTSS 4517/4885CTSK 3566/4885
US-20160115197-A1 SECONDARY STRUCTURE STABILIZED NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2A, GRIN1, GRIN3A CTSL 4593/4885CTSS 4529/4885CTSK 4221/4885

“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.