SCHEMBL3558816

SCHEMBL3558816

CCS(=O)(=O)Nc1ccc(CCc2ccccc2C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 3/20 0.49
ADRB2 P07550 1/20 0.49
KDR P35968 1/20 0.48
AR P10275 1/20 0.47
NR3C2 P08235 1/20 0.47
FOLH1 Q04609 1/20 0.45
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
SLC16A3 O15427 1/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3554751 0.89 AR (0.52) HPGDLMNASMN1; SMN2KDM4EKDR
SCHEMBL3554416 0.88 HPGD (0.56) HPGDLMNASMN1; SMN2HTTKDM4E
SCHEMBL3555662 0.88 KDM4E (0.51) HPGDLMNASMN1; SMN2HTTKDM4E
SCHEMBL3559259 0.84 LMNA (0.48) LMNASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL3556577 0.84 HDAC1 (0.60) KDM4EALDH1A1
SCHEMBL3557166 0.84 ALDH1A1 (0.60) KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL3555671 0.84 METAP2 (0.57) KDM4EALDH1A1KDRMAPT
SCHEMBL3554589 0.82 ALDH1A1 (0.47) HPGDLMNASMN1; SMN2HTTKDM4E
SCHEMBL3558903 0.82 FFAR1 (0.59) ALDH1A1
SCHEMBL3553627 0.82 SLC16A3 (0.50) HPGDLMNAFOLH1SLC16A3

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 HPGD 389/4885LMNA 2120/4885SMN1; SMN2 4522/4885

“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.