SCHEMBL3559760

SCHEMBL3559760

COc1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.64
GFER P55789 1/20 0.63
ALDH1A1 P00352 1/20 0.62
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
TSHR P16473 1/20 0.60
LIMK2 P53671 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
POLB P06746 2/20 0.58

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
SCHEMBL8227909 0.92 GFER (0.72) HDAC1GFERALDH1A1HDAC3HDAC4
SCHEMBL665556 0.92 GFER (0.72) HDAC1GFERALDH1A1HDAC3HDAC4
SCHEMBL3562032 0.90 SMN1; SMN2 (0.71) HDAC1GFERTSHRTDP1LMNA
SCHEMBL3555882 0.90 GFER (0.79) HDAC1GFERALDH1A1HDAC3HDAC4
SCHEMBL13028454 0.88 GFER (0.67) HDAC1GFERALDH1A1HDAC3HDAC4
SCHEMBL3563809 0.88 MEN1 (0.62) HDAC1GFERHDAC3HDAC4HDAC7
SCHEMBL3564489 0.88 GFER (0.60) GFERALDH1A1LIMK2TDP1LMNA
SCHEMBL3553373 0.87 AR (0.62) HDAC1GFERHDAC3HDAC4HDAC7
SCHEMBL3562112 0.87 TSHR (0.67) HDAC1GFERALDH1A1HDAC3HDAC4
SCHEMBL3555904 0.87 WDR5 (0.64) HDAC1GFERALDH1A1HDAC3HDAC4

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 HDAC1 1894/4885GFER 343/4885ALDH1A1 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.