Glutarate

Glutarate

SCHEMBL1648644

NC(=O)c1ccncc1.O=C(O)CCCC(=O)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP17A1 P05093 1/20 0.50
NAPRT Q6XQN6 1/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MPO P05164 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2A6 P11509 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.45
PARP1 P09874 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
Adipic Acid SCHEMBL1648545 0.96 CYP2C19 (0.58) CYP2C19CYP1A2CYP2C9CYP17A1NAPRT
Succinic Acid SCHEMBL1650227 0.92 CYP17A1 (0.53) CYP2C19CYP1A2CYP2C9CYP17A1NAPRT
SCHEMBL1649541 0.88 CYP1A2 (0.55) CYP2C19CYP1A2CYP2C9CYP17A1NAPRT
SCHEMBL1648991 0.87 CYP17A1 (0.49) CYP2C19CYP1A2CYP2C9CYP17A1NAPRT
Carbamic Acid SCHEMBL29194228 0.83 NAPRT (0.61) CYP2C19CYP1A2CYP2C9CYP17A1NAPRT
SCHEMBL8582840 0.83 NAPRT (0.59) CYP2C19CYP1A2CYP2C9CYP17A1NAPRT
SCHEMBL44995 0.83
Chloroacetic Acid SCHEMBL1650215 0.82 CYP17A1 (0.51) CYP2C19CYP1A2CYP2C9CYP17A1NAPRT
SCHEMBL5850399 0.82 HDAC3 (0.60) CYP2C19CYP1A2CYP2C9NAPRTCYP3A4
Benzamide SCHEMBL28868460 0.82 MAPT (0.70) CYP2C19CYP3A4ALDH1A1POLBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 EP claimed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 US claimed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 EP claimed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO claimed
CN-115554260-A Effervescent composition comprising co-crystals of acid moieties 布拉德福德大学 2023-01-03 CN disclosed
US-10420718-B2 Effervescent compositions containing co-crystals of the acid part UNIVERSITY OF BRADFORD (GB) 2019-09-24 US disclosed
US-20170128359-A1 EFFERVESCENT COMPOSITIONS CONTAINING CO-CRYSTALS OF THE ACID PART UNIVERSITY OF BRADFORD (GB) 2017-05-11 US disclosed
EP-3164116-A1 EFFERVESCENT COMPOSITIONS CONTAINING CO-CRYSTALS OF THE ACID PART University of Bradford (GB) 2017-05-10 EP disclosed
WO-2016001681-A1 EFFERVESCENT COMPOSITIONS CONTAINING CO-CRYSTALS OF THE ACID PART UNIVERSITY OF BRADFORD (GB) 2016-01-07 WO disclosed
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 EP disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-20100311701-A1 Pharmaceutical Co-Crystal Compositions TRANSFORM PHARMACEUTICALS, INC (US) 2010-12-09 US disclosed
US-20070059356-A1 Pharmaceutical co-crystal compositions of drugs such as carbamazepine, celecoxib, olanzapine, itraconazole, topiramate, modafinil, 5-fluorouracil, hydrochlorothiazide, acetaminophen, aspirin, flurbiprofen, phenytoin and ibuprofen REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2007-03-15 US disclosed
US-20070026078-A1 Pharmaceutical co-crystal compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-02-01 US disclosed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 EP disclosed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 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 (2 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-20170128359-A1 EFFERVESCENT COMPOSITIONS CONTAINING CO-CRYSTALS OF THE ACID PART SLC11A2, NPC1L1, C9 CYP2C19 3454/4885CYP1A2 3604/4885CYP2C9 2033/4885
US-10420718-B2 Effervescent compositions containing co-crystals of the acid part C9, SLC11A2, NPC1L1 CYP2C19 3105/4885CYP1A2 3232/4885CYP2C9 1735/4885

“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.