SCHEMBL3558130

SCHEMBL3558130

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

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.53
MCL1 Q07820 1/20 0.51
GHSR Q92847 1/20 0.51
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
HDAC1 Q13547 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HDAC4 P56524 1/20 0.48
HTR6 P50406 1/20 0.47
SLC16A3 O15427 1/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 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
SCHEMBL3556577 0.88 HDAC1 (0.60) HDAC8MCL1POLBHDAC1ALDH1A1
SCHEMBL3561071 0.88 HTR6 (0.51) MCL1MAPTPOLBHTR6SLC16A3
SCHEMBL3557166 0.87 ALDH1A1 (0.60) HDAC8GHSRMAPTHDAC1ALDH1A1
SCHEMBL3555122 0.87 ALDH1A1 (0.64) HDAC8MAPTHDAC1ALDH1A1HDAC4
SCHEMBL3555671 0.87 METAP2 (0.57) HDAC8MAPTPOLBHDAC1ALDH1A1
SCHEMBL3553918 0.87 PRMT1 (0.59) HDAC8HDAC1ALDH1A1HDAC4HTR6
SCHEMBL3554803 0.86 SLC16A3 (0.57) HDAC8MAPTPOLBHDAC1ALDH1A1
SCHEMBL3554424 0.86 UQCRB (0.56) HDAC8MCL1MAPTPOLBHDAC1
SCHEMBL3555641 0.85 KDM4E (0.61) GHSRPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL3558903 0.85 FFAR1 (0.59) HDAC8MCL1GHSRPOLBHDAC1

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 HDAC8 2985/4885MCL1 4304/4885GHSR 441/4885

“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.