SCHEMBL3551856

SCHEMBL3551856

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.53
POLB P06746 2/20 0.51
GHSR Q92847 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PGR P06401 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
MAPT P10636 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
AKR1C3 P42330 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL3556924 0.89 SLC2A1 (0.52) SLC16A3POLBMEN1KMT2AMAPT
SCHEMBL3556522 0.88 SLC16A3 (0.58) SLC16A3POLBALDH1A1MEN1KMT2A
SCHEMBL3558881 0.88 CA12 (0.57) SLC16A3POLBGHSRALDH1A1MEN1
SCHEMBL3555180 0.87 ALDH1A1 (0.57) SLC16A3POLBGHSRALDH1A1MEN1
SCHEMBL3555334 0.87 KAT6A (0.56) SLC16A3POLBALDH1A1MEN1KMT2A
SCHEMBL3557363 0.87 PRMT1 (0.59) SLC16A3POLBMEN1KMT2APGR
SCHEMBL3554962 0.87 ALDH1A1 (0.64) SLC16A3POLBALDH1A1MEN1KMT2A
SCHEMBL3552742 0.87 MEN1 (0.63) SLC16A3POLBMEN1KMT2AHDAC8
SCHEMBL3554909 0.86 CA12 (0.60) SLC16A3POLBALDH1A1MEN1KMT2A
SCHEMBL3555360 0.85 FFAR1 (0.59) SLC16A3POLBGHSRALDH1A1MEN1

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 SLC16A3 425/4885POLB 3962/4885GHSR 441/4885

“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.