SCHEMBL6105957

SCHEMBL6105957

CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.78
PPARG P37231 9/20 0.78
DHODH Q02127 1/20 0.69
PPARA Q07869 5/20 0.69
SERPINE1 P05121 1/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
ALDH1A1 P00352 1/20 0.66
GLA P06280 1/20 0.66
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
KCNK2 O95069 1/20 0.63
KCNK10 P57789 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
PKM P14618 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HCAR2 Q8TDS4 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61

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
SCHEMBL2028671 0.88 DHODH (0.86) DHODHNPC1RAB9AALDH1A1KCNK2
SCHEMBL7292297 0.88 NR1H4 (0.74) NR1H4PPARGPPARANPC1RAB9A
SCHEMBL5223315 0.87 RAB9A (0.73) NR1H4PPARGNPC1RAB9AALDH1A1
SCHEMBL5226864 0.87 NR1H4 (0.77) NR1H4PPARGPPARASMN1; SMN2
SCHEMBL4831403 0.86 NR1H4 (0.67) NR1H4PPARGPPARANPC1RAB9A
SCHEMBL15176770 0.86 NPC1 (0.68) NR1H4PPARGPPARASERPINE1NPC1
SCHEMBL7302098 0.86 PDCD1 (0.68) NR1H4PPARGPPARANPC1RAB9A
SCHEMBL29903436 0.86 NR1H4 (0.74) NR1H4PPARGPPARA
SCHEMBL12700422 0.85 DHODH (0.81) DHODHNPC1RAB9AKCNK2KCNK10
SCHEMBL6108092 0.85 TSHR (0.72) NR1H4PPARGPPARANPC1RAB9A

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 25 patents — showing the first 20. 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-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 US disclosed
US-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 US disclosed
US-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2012-11-01 US disclosed
US-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2012-11-01 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-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 US disclosed
EP-1140903-B1 AROMATIC AMIDES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6759414-B2 ANTICOAGULANTS WHICH ACT SELECTIVELY ON FACTOR XA; FAST ACTING; ORAL; DO NOT INTERFERE WITH LYSIS OF BLOOD CLOTS ELI LILLY AND COMPANY 2004-07-06 US disclosed
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 US disclosed
US-6635657-B1 Pyridine derivatives; anticoagulants ELI LILLY AND COMPANY 2003-10-21 US disclosed
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP 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 (6 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 NR1H4 1062/4885PPARG 436/4885DHODH 2524/4885
US-20040029874-A1 Aromatic amides F11, F12, F5 NR1H4 1132/4885PPARG 2293/4885DHODH 1913/4885
US-20120028977-A1 Subunit Selective NMDA Receptor Potentiators For The Treatment Of Neurological Conditions GRIN1, GRIN2A, GRIN2B NR1H4 1062/4885PPARG 436/4885DHODH 2524/4885
US-20120276121-A1 USE OF INHIBITORS OF SCAVENGER RECEPTOR CLASS PROTEINS FOR THE TREATMENT OF INFECTIOUS DISEASES SCARB1, MSR1, HAVCR2 NR1H4 95/4885PPARG 1202/4885DHODH 1061/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 NR1H4 1132/4885PPARG 2293/4885DHODH 1913/4885
US-20140275529-A1 SUBUNIT SELECTIVE NMDA RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS GRIN1, GRIN2A, GRIN2B NR1H4 1062/4885PPARG 436/4885DHODH 2524/4885

“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.