SCHEMBL3558978

SCHEMBL3558978

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2CCc2ccccc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.57
UQCRB P14927 1/20 0.57
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
SLC16A3 O15427 3/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PTPN5 P54829 1/20 0.51
PSD A5PKW4 1/20 0.50
MCL1 Q07820 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.46
ACLY P53396 1/20 0.46
MAPT P10636 1/20 0.46
METAP2 P50579 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL3552467 0.94 HSD17B2 (0.54) HSD17B2UQCRBCA1CA2SLC16A3
SCHEMBL3561225 0.90 SLC16A3 (0.50) HSD17B2UQCRBSLC16A3ALDH1A1KDM4E
SCHEMBL3564184 0.88 ACLY (0.60) SLC16A3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3556581 0.87 SLC16A3 (0.58) SLC16A3ALDH1A1KDM4EMCL1MEN1
SCHEMBL3561943 0.86 LMNA (0.58) CA2SLC16A3ALDH1A1KDM4EMCL1
SCHEMBL3564989 0.85 PTPN5 (0.57) UQCRBCA1CA2ALDH1A1PTPN5
SCHEMBL3557494 0.85 ACLY (0.58) UQCRBCA1CA2SLC16A3ALDH1A1
SCHEMBL3562564 0.85 SLC16A3 (0.64) SLC16A3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3553682 0.85 SLC16A3 (0.50) HSD17B2UQCRBSLC16A3ALDH1A1KDM4E
SCHEMBL3564986 0.85 SLC16A3 (0.76) HSD17B2UQCRBCA1CA2SLC16A3

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 HSD17B2 485/4885UQCRB 162/4885CA1 1700/4885

“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.