SCHEMBL3561858

SCHEMBL3561858

Cc1cccc(S(=O)(=O)Nc2cccc(CCc3cccc(C(=O)O)c3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
AKR1C3 P42330 3/20 0.64
PFKFB3 Q16875 1/20 0.57
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
POLB P06746 1/20 0.54
HTR6 P50406 3/20 0.54
THRB P10828 1/20 0.53
LIMK1 P53667 1/20 0.53
LIMK2 P53671 1/20 0.53
SLC16A3 O15427 1/20 0.52

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
SCHEMBL3555575 0.92 MEN1 (0.57) MEN1KMT2AAKR1C3PFKFB3ALDH1A1
SCHEMBL3561276 0.92 AKR1C3 (0.63) MEN1KMT2AAKR1C3PFKFB3ALDH1A1
SCHEMBL3562390 0.89 POLB (0.62) MEN1KMT2AAKR1C3ALDH1A1POLB
SCHEMBL3553555 0.89 HTR6 (0.67) MEN1KMT2AAKR1C3PFKFB3MAPT
SCHEMBL3557656 0.86 HTR6 (0.53) MEN1KMT2AAKR1C3PFKFB3ALDH1A1
SCHEMBL3556551 0.86 THRB (0.65) MEN1KMT2AAKR1C3PFKFB3ALDH1A1
SCHEMBL3562818 0.85 AKR1C3 (0.66) MEN1KMT2AAKR1C3PFKFB3ALDH1A1
SCHEMBL3558114 0.85 POLB (0.67) MEN1KMT2AAKR1C3PFKFB3ALDH1A1
SCHEMBL3556199 0.84 SLC16A3 (0.74) MEN1KMT2AAKR1C3SLC16A3
SCHEMBL3552657 0.84 ALDH1A1 (0.55) MEN1KMT2AAKR1C3ALDH1A1HPGD

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 MEN1 2548/4885KMT2A 4045/4885AKR1C3 23/4885

“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.