SCHEMBL3039770

SCHEMBL3039770

CCOC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCC2

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.69
MAPT P10636 7/20 0.69
TP53 P04637 4/20 0.69
TLR2 O60603 1/20 0.64
HPGD P15428 4/20 0.61
HSD17B10 Q99714 4/20 0.61
MAPK1 P28482 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
CNR1 P21554 1/20 0.61
KDM4E B2RXH2 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
USP2 O75604 1/20 0.59
ALOX15 P16050 1/20 0.59
PTGER2 P43116 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59

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
SCHEMBL7902217 0.89 MAPT (0.77) CNR2MAPTTP53TLR2HPGD
SCHEMBL3917243 0.86 MAPT (0.79) CNR2MAPTTP53HPGDHSD17B10
SCHEMBL3038723 0.85 MEN1 (0.72) MAPTTP53HPGDTDP1KDM4E
SCHEMBL3916162 0.85 MAPT (0.80) CNR2MAPTTP53TLR2HPGD
SCHEMBL268761 0.84 CNR2 (0.70) CNR2MAPTTP53HPGDHSD17B10
SCHEMBL34468587 0.84 TP53 (0.85) CNR2MAPTTP53TLR2HSD17B10
SCHEMBL34468521 0.84 TLR2 (0.63) CNR2MAPTTP53TLR2HPGD
SCHEMBL8290510 0.83 MAPT (0.77) CNR2MAPTTP53TLR2HPGD
SCHEMBL8289573 0.82 MAPT (0.79) CNR2MAPTTP53HPGDHSD17B10
SCHEMBL267472 0.82 MAPT (0.67) CNR2MAPTTP53TLR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-26 US disclosed
US-10273214-B2 Subunit selective NMDA receptor potentiators for the treatment of neurological conditions EMORY UNIVERSITY (US) 2019-04-30 US disclosed
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-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
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 (4 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 CNR2 122/4885MAPT 768/4885TP53 2987/4885
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B CNR2 122/4885MAPT 768/4885TP53 2987/4885
US-20200369682-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH CNR2 4405/4885MAPT 2107/4885TP53 683/4885
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS GRIN1, GRIN2A, GRIN2B CNR2 122/4885MAPT 768/4885TP53 2987/4885

“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.