SCHEMBL2998729

SCHEMBL2998729

CCCc1nc(CCC(=O)O)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TBXAS1 P24557 3/20 0.35
LMNA P02545 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
SCHEMBL3006924 0.90 TBXAS1 (0.40) HSD17B10TBXAS1
SCHEMBL25404663 0.89 CHRM1 (0.45) CHRM1PARP1PARP2PRKAG1PRKAA2
SCHEMBL3008208 0.89 PPARA (0.43) HSD17B10TBXAS1
SCHEMBL3005181 0.88 CHRM1 (0.38) CHRM1L3MBTL1PARP1PARP2PRKAG1
SCHEMBL3005232 0.87 SCD (0.45) HSD17B10TBXAS1
SCHEMBL2999622 0.87 SCD (0.45) HSD17B10TBXAS1
SCHEMBL3004496 0.87 SCD (0.45) HSD17B10TBXAS1
SCHEMBL3007164 0.86 ALDH1A1 (0.37) L3MBTL1HSD17B10NPSR1
Octanoic Acid SCHEMBL27867745 0.86 PPARA (0.50) HSD17B10TBXAS1
SCHEMBL3286058 0.83 BACE1 (0.36) HSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 CHRM1 370/4885L3MBTL1 4170/4885PARP1 3515/4885

“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.