SCHEMBL3564989

SCHEMBL3564989

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(CCc3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.57
UQCRB P14927 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
GHSR Q92847 3/20 0.53
HDAC8 Q9BY41 4/20 0.52
HDAC3 O15379 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL3561583 0.90 GHSR (0.46) PTPN5ALDH1A1MEN1KMT2AGHSR
SCHEMBL3552616 0.89 AR (0.55) ALDH1A1MEN1MAPTKMT2AHDAC8
SCHEMBL3556577 0.88 HDAC1 (0.60) ALDH1A1MEN1KMT2AHDAC8POLB
SCHEMBL3556741 0.88 IKBKB (0.64) PTPN5UQCRBALDH1A1MEN1MAPT
SCHEMBL3555671 0.87 METAP2 (0.57) ALDH1A1MEN1MAPTKMT2AHDAC8
SCHEMBL3555122 0.87 ALDH1A1 (0.64) ALDH1A1MEN1MAPTKMT2AHDAC8
SCHEMBL3557166 0.87 ALDH1A1 (0.60) PTPN5ALDH1A1MEN1MAPTKMT2A
SCHEMBL3554803 0.86 SLC16A3 (0.57) ALDH1A1MEN1MAPTKMT2AHDAC8
SCHEMBL3554424 0.86 UQCRB (0.56) UQCRBALDH1A1MEN1MAPTKMT2A
SCHEMBL3555641 0.85 KDM4E (0.61) ALDH1A1MEN1KMT2AGHSRLMNA

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 PTPN5 2846/4885UQCRB 162/4885ALDH1A1 61/4885

“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.