SCHEMBL3555544

SCHEMBL3555544

CS(=O)(=O)Nc1ccc(OCCOc2ccccc2C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
AR P10275 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 2/20 0.55
PTK2B Q14289 1/20 0.55
MEN1 O00255 1/20 0.52
PGR P06401 1/20 0.51
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CCR2 P41597 1/20 0.46
DRD3 P35462 2/20 0.46
CACNA1F O60840 1/20 0.46
CHRM2 P08172 1/20 0.46
ACHE P22303 1/20 0.46
AGTR1 P30556 1/20 0.46
CACNA1D Q01668 1/20 0.46

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
SCHEMBL3563945 0.89 ALDH1A1 (0.63) ALDH1A1NPC1RAB9AARHPGD
SCHEMBL3558986 0.86 ALDH1A1 (0.63) ALDH1A1ARSMN1; SMN2KMT2APTK2B
SCHEMBL3553044 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KMT2APTK2BMEN1
SCHEMBL3554831 0.85 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AARHPGD
SCHEMBL3560310 0.84 ALDH1A1 (0.58) ALDH1A1ARHPGDSMN1; SMN2KMT2A
SCHEMBL3561723 0.83 PGR (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1PGR
SCHEMBL3562134 0.83 SMN1; SMN2 (0.63) ALDH1A1ARSMN1; SMN2KMT2AMEN1
SCHEMBL3555020 0.83 AR (0.61) ALDH1A1NPC1RAB9AARSMN1; SMN2
SCHEMBL3559276 0.83 AR (0.61) ALDH1A1ARSMN1; SMN2KMT2AMEN1
SCHEMBL3563348 0.82 ALDH1A1 (0.58) ALDH1A1ARSMN1; SMN2KMT2APTK2B

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 ALDH1A1 61/4885NPC1 2684/4885RAB9A 4528/4885

“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.