SCHEMBL3551591

SCHEMBL3551591

COc1ccc(S(=O)(=O)Nc2cccc(CCc3cccc(C(=O)O)c3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.65
▸ TCF4 P15884 1/20 0.65
▸ CTNNB1 P35222 1/20 0.65
▸ CYP19A1 P11511 1/20 0.62
▸ POLB P06746 1/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ AKR1C3 P42330 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ LIMK2 P53671 2/20 0.56
▸ PKM P14618 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ MRGPRX4 Q96LA9 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL3561566 0.92 CYP19A1 (0.61) ALDH1A1TCF4CTNNB1CYP19A1POLB
SCHEMBL3561254 0.92 ALDH1A1 (0.71) ALDH1A1TCF4CTNNB1CYP19A1POLB
SCHEMBL3562818 0.90 AKR1C3 (0.66) ALDH1A1TCF4CTNNB1POLBMEN1
SCHEMBL3720429 0.89 TCF4 (0.81) ALDH1A1TCF4CTNNB1CYP19A1POLB
SCHEMBL3558114 0.88 POLB (0.67) ALDH1A1POLBMEN1KMT2AAKR1C3
SCHEMBL3562390 0.87 POLB (0.62) ALDH1A1TCF4CTNNB1POLBMEN1
SCHEMBL3554315 0.87 WDR5 (0.64) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL3558965 0.87 CYP19A1 (0.57) ALDH1A1TCF4CTNNB1CYP19A1POLB
SCHEMBL3553555 0.87 HTR6 (0.67) POLBMEN1KMT2AAKR1C3SLC16A3
SCHEMBL3553801 0.87 HTT (0.61) ALDH1A1POLBMEN1KMT2AHTT

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 61/4885TCF4 2012/4885CTNNB1 1509/4885

“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.

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