SCHEMBL3563734

SCHEMBL3563734

COc1cccc(S(=O)(=O)Nc2cccc(CCc3ccccc3C(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
PGR P06401 1/20 0.53
LIMK2 P53671 1/20 0.52
HTR6 P50406 3/20 0.50
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC16A3 O15427 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
AURKA O14965 1/20 0.48
KDR P35968 1/20 0.48
AURKB Q96GD4 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48

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
SCHEMBL3555833 0.91 PGR (0.60) AKR1C3PGRMEN1KMT2APOLB
SCHEMBL3558965 0.91 CYP19A1 (0.57) LIMK2HTR6KEAP1NFE2L2MEN1
SCHEMBL3561338 0.88 HTR6 (0.62) HTR6KEAP1NFE2L2POLBMAPT
SCHEMBL3562818 0.87 AKR1C3 (0.66) AKR1C3PGRLIMK2HTR6MEN1
SCHEMBL3560651 0.87 CA12 (0.59) KEAP1NFE2L2MEN1KMT2ASMN1; SMN2
SCHEMBL3557656 0.86 HTR6 (0.53) AKR1C3LIMK2HTR6KEAP1NFE2L2
SCHEMBL3556994 0.85 MEN1 (0.61) MEN1KMT2ASMN1; SMN2SLC16A3ALDH1A1
SCHEMBL3555853 0.85 KEAP1 (0.56) AKR1C3PGRKEAP1NFE2L2MEN1
SCHEMBL3559120 0.84 SLC16A3 (0.54) PGRLIMK2HTR6KEAP1NFE2L2
SCHEMBL3557572 0.84 SLC16A3 (0.67) AKR1C3HTR6MEN1KMT2ASMN1; SMN2

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 AKR1C3 23/4885PGR 1338/4885LIMK2 3634/4885

“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.