SCHEMBL3010146

SCHEMBL3010146

CCCCc1nc(CC(=O)O)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PARP1 P09874 1/20 0.37
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
GPR84 Q9NQS5 5/20 0.36
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRR2 P28476 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL2999675 0.95 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10HCAR3HCAR2
SCHEMBL3005051 0.94 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10HCAR2GPR84
SCHEMBL3005337 0.94 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10HCAR2GPR84
SCHEMBL27788644 0.94 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10HCAR2GPR84
SCHEMBL16058909 0.94 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10HCAR2GPR84
SCHEMBL2999896 0.94 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10HCAR2GPR84
SCHEMBL3007164 0.90 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10HCAR2GABRA1
SCHEMBL28045511 0.89 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10PARP1HCAR3
SCHEMBL3006924 0.87 TBXAS1 (0.40) ALDH1A1HPGDHSD17B10GPR84TSHR
Acetic Acid SCHEMBL27806863 0.87 PARP1 (0.39) ALDH1A1HPGDHSD17B10PARP1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103492372-B Regulate the Carbox amide of androgen receptor ORION CORP. (FI) 2015-09-30 CN disclosed
CN-103492372-A Androgen receptor modulating carboxamides ORION CORP 2014-01-01 CN disclosed
US-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH IP EE B.V. (NL) 2010-08-05 US disclosed
EP-2167474-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES Valletta Health IP EE B.V. (NL) 2010-03-31 EP disclosed
CN-101679293-A Urocanic acid derivatives useful for the treatment of immune-related and inflammatory diseases VALETTA HEALTH B V 2010-03-24 CN disclosed
WO-2008153385-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH B.V. (NL) 2008-12-18 WO disclosed
US-5929249-A ANGIOTENSIN II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed
US-5728842-A ANGIOTENSIN II RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1998-03-17 US disclosed
EP-0653937-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1996-07-31 EP disclosed
EP-0653937-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-24 EP disclosed
WO-1994000120-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 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 (1 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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES UTS2R, UACA, HCAR1 ALDH1A1 2060/4885HPGD 685/4885HSD17B10 2546/4885

“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.