SCHEMBL3554833

SCHEMBL3554833

CCCCS(=O)(=O)Nc1cccc(CCc2cccc(C(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
WDR5 P61964 1/20 0.47
MAP1LC3B Q9GZQ8 1/20 0.46
MAP1LC3A Q9H492 1/20 0.46
AURKA O14965 1/20 0.45
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45
SLC16A3 O15427 4/20 0.43
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
KAT6A Q92794 1/20 0.43

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
SCHEMBL3552764 0.92 RARB (0.47) ARAURKAKDRAURKB
SCHEMBL3559039 0.92 AR (0.52) ARAURKAKDRAURKB
SCHEMBL10965567 0.90 WDR5 (0.55) ARWDR5MAP1LC3BMAP1LC3AAURKA
SCHEMBL3554342 0.89 LMNA (0.51) SLC16A3POLB
SCHEMBL3558668 0.86 AR (0.46) ARAURKAKDRAURKB
SCHEMBL27846668 0.85 WDR5 (0.53) WDR5POLBNR1H4
SCHEMBL3561334 0.84 SLC16A3 (0.61) SLC16A3
SCHEMBL10750392 0.82 PTPN1 (0.47) ARMAP1LC3BMAP1LC3AAURKAKDR
SCHEMBL3560661 0.82 HPGD (0.53) SLC16A3BRD4POLB
SCHEMBL3557388 0.82 ALDH1A1 (0.57) SLC16A3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 AR 3412/4885WDR5 1795/4885MAP1LC3B 2346/4885

“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.