SCHEMBL3560653

SCHEMBL3560653

COc1cccc(S(=O)(=O)Nc2cccc(CCc3ccc(C(=O)O)cc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.59
LIMK2 P53671 1/20 0.57
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
SLC16A3 O15427 1/20 0.54
TAS2R14 Q9NYV8 1/20 0.53
ALDH1A1 P00352 7/20 0.53
LMNA P02545 4/20 0.53
PGR P06401 1/20 0.53
PKM P14618 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52

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
SCHEMBL3562818 0.92 AKR1C3 (0.66) AKR1C3LIMK2HDAC3HDAC4HDAC1
SCHEMBL3557524 0.92 HDAC3 (0.64) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3561566 0.90 CYP19A1 (0.61) AKR1C3LIMK2TAS2R14ALDH1A1LMNA
SCHEMBL3559667 0.89 AKR1C3 (0.65) AKR1C3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3555628 0.86 HTR6 (0.65) AKR1C3LIMK2HDAC4HDAC1HDAC8
SCHEMBL3567099 0.86 CA12 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3555575 0.85 MEN1 (0.57) AKR1C3LIMK2SLC16A3ALDH1A1MAPT
SCHEMBL5329582 0.85 PGR (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3555871 0.85 POLB (0.60) LIMK2SLC16A3MAPTMEN1KMT2A
SCHEMBL3558720 0.84 L3MBTL1 (0.61) ALDH1A1LMNASMN1; SMN2GAAMEN1

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 AKR1C3 23/4885LIMK2 3634/4885HDAC3 3383/4885

“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.