SCHEMBL7901259

SCHEMBL7901259

CC1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)O)C1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.81
TNF P01375 6/20 0.80
NOD1 Q9Y239 6/20 0.80
MEN1 O00255 7/20 0.71
KMT2A Q03164 7/20 0.71
MAPT P10636 4/20 0.71
GRIN2C Q14957 3/20 0.71
KDM4E B2RXH2 1/20 0.71
MITF O75030 1/20 0.71
KLF5 Q13887 1/20 0.71
NOD2 Q9HC29 1/20 0.64
RAB9A P51151 3/20 0.63
NPC1 O15118 1/20 0.63
FLT3 P36888 1/20 0.57
ANO1 Q5XXA6 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ESR2 Q92731 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
SCHEMBL7894757 0.83 GRIN2C (1.00) TP53TNFNOD1MEN1KMT2A
SCHEMBL7894754 0.83 MEN1 (1.00) TP53TNFNOD1MEN1KMT2A
SCHEMBL2182372 0.80 TP53 (0.80) TP53TNFNOD1MEN1KMT2A
SCHEMBL21247136 0.80 TNF (0.75) TP53TNFNOD1MEN1KMT2A
SCHEMBL918990 0.79 MAPT (0.77) TP53TNFNOD1MEN1KMT2A
SCHEMBL21247506 0.79 MAPT (0.67) TP53TNFNOD1MEN1KMT2A
SCHEMBL21247231 0.78 MAPT (0.76) TP53TNFNOD1MEN1KMT2A
SCHEMBL3921416 0.78 MEN1 (1.00) TP53TNFNOD1MEN1KMT2A
SCHEMBL21260810 0.78 MAPT (0.66) TP53TNFNOD1MEN1KMT2A
SCHEMBL21260756 0.77 MAPT (0.65) TP53TNFNOD1MEN1KMT2A

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-10273214-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2019-04-30 US disclosed
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS TRAYNELIS STEPHEN F (US) 2014-09-18 US disclosed
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS TRAYNELIS STEPHEN F (US) 2014-09-18 US disclosed
US-8822462-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2014-09-02 US disclosed
US-8822462-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2014-09-02 US disclosed
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2012-02-02 US disclosed
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions EMORY UNIVERSITY (US) 2012-02-02 US disclosed
WO-2010088414-A2 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS EMORY UNIVERSITY (US) 2010-08-05 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-10273214-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions GRIN1, GRIN2A, GRIN2B TP53 2987/4885TNF 2384/4885NOD1 890/4885
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B TP53 2987/4885TNF 2384/4885NOD1 890/4885
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS GRIN1, GRIN2A, GRIN2B TP53 2987/4885TNF 2384/4885NOD1 890/4885

“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.