SCHEMBL3559882

SCHEMBL3559882

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CCC(=O)O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
SQSTM1 Q13501 1/20 0.47
ALDH1A1 P00352 2/20 0.47
UQCRB P14927 1/20 0.46
AR P10275 1/20 0.46
PKM P14618 1/20 0.46
RECQL P46063 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
CACNA1B Q00975 1/20 0.45

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
SCHEMBL3556274 0.90 AR (0.59) POLBTDP1MEN1KMT2AMAPT
SCHEMBL3551269 0.90 LMNA (0.50) POLBTDP1LMNAMEN1KMT2A
SCHEMBL3554982 0.90 TDP1 (0.59) POLBTDP1LMNAMEN1KMT2A
SCHEMBL3551606 0.89 SMN1; SMN2 (0.58) POLBTDP1LMNAMEN1KMT2A
SCHEMBL3558946 0.89 KEAP1 (0.58) POLBTDP1LMNAMEN1KMT2A
SCHEMBL3557130 0.89 ALDH1A1 (0.58) POLBTDP1LMNAMEN1KMT2A
SCHEMBL3561160 0.88 TDP1 (0.58) POLBTDP1LMNAMEN1KMT2A
SCHEMBL3553334 0.88 TDP1 (0.58) POLBTDP1LMNAMEN1KMT2A
SCHEMBL3554604 0.87 TDP1 (0.60) POLBTDP1LMNAMEN1KMT2A
SCHEMBL3552602 0.87 LMNA (0.62) POLBTDP1LMNAMEN1KMT2A

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 2 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

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 POLB 3962/4885TDP1 2267/4885NPSR1 2156/4885

“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.