SCHEMBL3561699

SCHEMBL3561699

Cc1ccc(S(=O)(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HSD17B10 Q99714 2/20 0.55
POLB P06746 1/20 0.55
CYP26A1 O43174 1/20 0.54
HSD17B13 Q7Z5P4 1/20 0.54
KMT2A Q03164 1/20 0.53
GAA P10253 1/20 0.53
PTPN5 P54829 1/20 0.53
HPGD P15428 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.50
PTGER4 P35408 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GFER P55789 1/20 0.49
EPHX2 P34913 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
SCHEMBL3561353 0.90 ALDH1A1 (0.54) ALDH1A1HSD17B10POLBCYP26A1KMT2A
SCHEMBL3564056 0.90 ALDH1A1 (0.54) ALDH1A1HSD17B10POLBCYP26A1KMT2A
SCHEMBL3557383 0.85 MAPT (0.67) ALDH1A1HSD17B10POLBCYP26A1HSD17B13
SCHEMBL3554420 0.84 ALDH1A1 (0.56) ALDH1A1HSD17B10POLBCYP26A1HSD17B13
SCHEMBL3557287 0.84 SLC16A3 (0.64) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL3555496 0.84 ALDH1A1 (0.61) ALDH1A1HSD17B10POLBKMT2AGAA
SCHEMBL3556553 0.82 ALDH1A1 (0.73) ALDH1A1HSD17B13KMT2AGAAHPGD
SCHEMBL3552657 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10KMT2APTPN5HPGD
SCHEMBL3553525 0.81 ALDH1A1 (0.60) ALDH1A1HSD17B10KMT2AGAAHPGD
SCHEMBL3564236 0.81 SLC16A3 (0.59) ALDH1A1CYP26A1LMNAMAPTHTT

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 61/4885HSD17B10 236/4885POLB 3962/4885

“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.