SCHEMBL3553801

SCHEMBL3553801

COc1ccc(S(=O)(=O)Nc2cccc(CCc3cccc(C(=O)O)c3)c2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
LMNA P02545 4/20 0.59
ALDH1A1 P00352 4/20 0.59
TSHR P16473 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
PKM P14618 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
WDR5 P61964 1/20 0.55
FABP4 P15090 2/20 0.54
USP2 O75604 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53

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
SCHEMBL3567099 0.93 CA12 (0.59) HTTCA12CA9LMNAALDH1A1
SCHEMBL3563323 0.93 HTT (0.62) HTTCA12CA9LMNAALDH1A1
SCHEMBL3560651 0.88 CA12 (0.59) HTTCA12CA9LMNAALDH1A1
SCHEMBL3551591 0.87 ALDH1A1 (0.65) HTTLMNAALDH1A1PKMSMN1; SMN2
SCHEMBL3562818 0.86 AKR1C3 (0.66) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3561649 0.85 SLC16A3 (0.73) HTTCA12CA9LMNAALDH1A1
SCHEMBL3558114 0.84 POLB (0.67) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL3556776 0.83 LMNA (0.64) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3562390 0.83 POLB (0.62) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL3553555 0.82 HTR6 (0.67) MEN1KMT2ASLC16A3POLB

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 HTT 3739/4885CA12 2189/4885CA9 1020/4885

“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.