SCHEMBL3554085

SCHEMBL3554085

O=C(O)c1ccc(CCc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.85
HSD17B10 Q99714 2/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
HPGD P15428 1/20 0.59
GPR55 Q9Y2T6 1/20 0.57
SLC16A3 O15427 1/20 0.57
AR P10275 1/20 0.56
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HTT P42858 2/20 0.54
ITGA1 P56199 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
WDR5 P61964 1/20 0.52
KDM4E B2RXH2 1/20 0.52
IKBKB O14920 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL3554218 0.90 SLC16A3 (0.72) MAPK1HSD17B10POLBMEN1KMT2A
SCHEMBL3555375 0.90 MAPK1 (0.68) MAPK1HSD17B10POLBMEN1KMT2A
SCHEMBL3552312 0.84 MAPK1 (0.79) MAPK1HSD17B10POLBMEN1KMT2A
SCHEMBL3558949 0.84 SLC16A3 (0.62) MAPK1HSD17B10POLBMEN1KMT2A
SCHEMBL3559840 0.84 SLC16A3 (0.81) MAPK1MEN1KMT2AHPGDGPR55
SCHEMBL3558356 0.82 WDR5 (0.63) MAPK1MEN1KMT2AARALDH1A1
SCHEMBL3556976 0.81 SLC16A3 (0.74) MAPK1HSD17B10POLBMEN1KMT2A
SCHEMBL3560343 0.81 SLC16A3 (0.73) MAPK1MEN1KMT2AHPGDGPR55
SCHEMBL15480543 0.79 MAPK1 (0.75) MAPK1HSD17B10POLBMEN1KMT2A
SCHEMBL2691550 0.79 MAPK1 (0.62) MAPK1HSD17B10HPGDARMAPT

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 MAPK1 667/4885HSD17B10 236/4885POLB 3962/4885

“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.