SCHEMBL3553682

SCHEMBL3553682

CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2CCCCCc2ccccc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.50
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
METAP2 P50579 2/20 0.44
HSD17B10 Q99714 1/20 0.43
KCNA5 P22460 1/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
UQCRB P14927 1/20 0.43
HSD17B2 P37059 1/20 0.43
MEN1 O00255 1/20 0.43
WDR5 P61964 1/20 0.42

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
SCHEMBL3561225 0.95 SLC16A3 (0.50) SLC16A3ALDH1A1KDM4EMETAP2HSD17B10
SCHEMBL3552467 0.90 HSD17B2 (0.54) SLC16A3ALDH1A1KDM4EKMT2AUQCRB
SCHEMBL3561433 0.86 ACLY (0.56) SLC16A3ALDH1A1KDM4EKCNA5KMT2A
SCHEMBL3562322 0.85 SLC16A3 (0.56) SLC16A3ALDH1A1KDM4EMETAP2KMT2A
SCHEMBL3557805 0.85 SLC16A3 (0.65) SLC16A3ALDH1A1KDM4EMETAP2KMT2A
SCHEMBL3558978 0.85 HSD17B2 (0.57) SLC16A3ALDH1A1KDM4EMETAP2HSD17B10
SCHEMBL3564778 0.85 SLC16A3 (0.64) SLC16A3ALDH1A1KDM4EMETAP2HSD17B10
SCHEMBL3558258 0.84 METAP2 (0.60) SLC16A3ALDH1A1KDM4EMETAP2KMT2A
SCHEMBL3553428 0.84 SLC16A3 (0.57) SLC16A3ALDH1A1KDM4EMETAP2UQCRB
SCHEMBL3552022 0.83 SLC16A3 (0.63) SLC16A3KDM4EMETAP2KMT2ATSHR

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 425/4885ALDH1A1 61/4885KDM4E 1045/4885

“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.