SCHEMBL3554909

SCHEMBL3554909

CC(=O)c1ccc(S(=O)(=O)Nc2ccc(CCc3cccc(C(=O)O)c3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
ALDH1A1 P00352 5/20 0.58
HPGD P15428 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 4/20 0.55
SLC16A3 O15427 2/20 0.54
POLB P06746 1/20 0.53
GAA P10253 2/20 0.53
CYP19A1 P11511 1/20 0.52
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL3556522 0.93 SLC16A3 (0.58) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL3558666 0.92 CA12 (0.61) CA12CA9ALDH1A1HPGDMEN1
SCHEMBL3553517 0.90 MEN1 (0.57) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL3555334 0.89 KAT6A (0.56) ALDH1A1MEN1KMT2AMAPTSLC16A3
SCHEMBL3555180 0.89 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTSLC16A3
SCHEMBL3553771 0.89 CA12 (0.61) CA12CA9ALDH1A1HPGDMEN1
SCHEMBL3554962 0.89 ALDH1A1 (0.64) CA12CA9ALDH1A1HPGDMEN1
SCHEMBL3552742 0.89 MEN1 (0.63) MEN1KMT2ASLC16A3POLB
SCHEMBL3554284 0.89 ALDH1A1 (0.67) CA12CA9ALDH1A1HPGDMEN1
SCHEMBL3555360 0.87 FFAR1 (0.59) ALDH1A1MEN1KMT2ASLC16A3POLB

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 CA12 2189/4885CA9 1020/4885ALDH1A1 61/4885

“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.