SCHEMBL3553635

SCHEMBL3553635

Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
RAD52 P43351 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CACNA1H O95180 1/20 0.44

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
SCHEMBL3551102 0.88 RAD52 (0.50) PKMRAD52L3MBTL1TDP1MEN1
SCHEMBL3553540 0.88 NMT1 (0.54) PKMRAD52L3MBTL1TDP1MEN1
SCHEMBL3554984 0.86 PKM (0.56) PKMTDP1LMNAKDM4ECACNA1H
SCHEMBL3554494 0.86 PKM (0.56) PKML3MBTL1TDP1MEN1KMT2A
SCHEMBL3552318 0.85 GFER (0.56) PKML3MBTL1TDP1LMNASMN1; SMN2
SCHEMBL3553928 0.85 PKM (0.50) PKMRAD52L3MBTL1TDP1MEN1
SCHEMBL3560312 0.85 ALDH1A1 (0.56) RAD52MEN1KMT2ALMNAMAPT
SCHEMBL3563109 0.84 PKM (0.57) PKML3MBTL1TDP1KMT2ALMNA
Benzene SCHEMBL3553547 0.84 PKM (0.57) PKML3MBTL1TDP1KMT2ALMNA
SCHEMBL3561678 0.83 PKM (0.56) PKML3MBTL1TDP1LMNASMN1; SMN2

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 PKM 990/4885RAD52 4737/4885L3MBTL1 2080/4885

“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.