SCHEMBL1626164

SCHEMBL1626164

Nc1ccc(CC(=O)O)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.47
GABRB2 P47870 4/20 0.47
GABRP O00591 3/20 0.47
GABRD O14764 3/20 0.47
GABRA1 P14867 3/20 0.47
GABRB1 P18505 3/20 0.47
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47
GABRA4 P48169 3/20 0.47
GABRE P78334 3/20 0.47
GABRA6 Q16445 3/20 0.47
GABRG1 Q8N1C3 3/20 0.47
GABRG3 Q99928 3/20 0.47
GABRQ Q9UN88 3/20 0.47
HSD17B10 Q99714 1/20 0.43
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41

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
SCHEMBL3624625 0.84 ADRA2A (0.46) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL30728065 0.82 ADRA2A (0.40) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL7996551 0.81 FFAR1 (0.55) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL4178273 0.79 CA2 (0.50) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL31028364 0.78 MBOAT4 (0.42) HSD17B10ADRA2AADRA2BADRA2CHPGD
SCHEMBL9655945 0.78 FFAR1 (0.45) HSD17B10P4HTMCYP2C19CYP1A2FFAR1
SCHEMBL9267515 0.78 MBOAT4 (0.42) HSD17B10ADRA2AADRA2BADRA2CHPGD
SCHEMBL18041383 0.77 FTO (0.42) CA12CA1CA2CA4CA6
SCHEMBL9657521 0.77 FFAR1 (0.44) FFAR1MAPT
SCHEMBL1505803 0.77 ALDH1A1 (0.45) ADRA2AADRA2BADRA2CCYP2C9CYP2C19

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2790511-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
US-9206199-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
CN-105073738-A Quinoline and quinazoline amides as modulators of sodium channels VERTEX PHARMA 2015-11-18 CN disclosed
CN-104968647-A Amides as modulators of sodium channels VERTEX PHARMA 2015-10-07 CN disclosed
CN-104718206-A Azaindole carboxylic acid amides and azaindole thiocarboxylic acid amides for use as insecticides and acaricides BAYER CROPSCIENCE AG 2015-06-17 CN disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 EP disclosed
CN-101967146-B Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC 2015-04-08 CN disclosed
EP-2832734-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 EP disclosed
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2014-11-13 US disclosed
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases SHIMOJO MASATO 2003-12-25 US disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO disclosed
EP-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 US disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed
WO-1995033724-A1 PHENETHANOLAMINE DERIVATIVES AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1995-12-14 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 GABRA5 2965/4885GABRB2 3140/4885GABRP 3199/4885
US-20030236260-A1 Use of EP4 receptor ligands in the treatment of IL-6 involved diseases PTGER4, PTGER1, IL6 GABRA5 590/4885GABRB2 677/4885GABRP 755/4885
US-20140336177-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 GABRA5 1371/4885GABRB2 1230/4885GABRP 1806/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 GABRA5 1420/4885GABRB2 2096/4885GABRP 2249/4885

“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.