SCHEMBL3561635

SCHEMBL3561635

CN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3OCCOc3ccc(C(=O)O)cc3)cccc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.49
BCL2 P10415 1/20 0.49
MCL1 Q07820 1/20 0.49
KDM4E B2RXH2 1/20 0.47
NSD2 O96028 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC16A3 O15427 2/20 0.45
FABP4 P15090 1/20 0.44
RAD52 P43351 1/20 0.43

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
SCHEMBL3560607 0.87 EDNRA (0.58) EDNRAKDM4ENSD2TSHRHSD17B10
SCHEMBL3563478 0.86 SLC16A3 (0.60) MCL1TSHRSLC16A3FABP4RAD52
SCHEMBL3556624 0.81 ALDH1A1 (0.51) MCL1RAD52
SCHEMBL3565992 0.80 PKM (0.50) TSHRFABP4RAD52
SCHEMBL3555538 0.80 EDNRA (0.52) EDNRABCL2MCL1KDM4ENSD2
SCHEMBL3557644 0.78 EDNRA (0.50) EDNRABCL2MCL1KDM4ENSD2
SCHEMBL3554494 0.78 PKM (0.56) MCL1TSHRHSD17B10SLC16A3
SCHEMBL3554984 0.78 PKM (0.56) MCL1KDM4ESLC16A3
SCHEMBL3558188 0.78 SLC16A3 (0.74) EDNRABCL2MCL1KDM4ENSD2
SCHEMBL3558810 0.77 MRGPRX1 (0.51) RAD52

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 EDNRA 362/4885BCL2 1996/4885MCL1 4304/4885

“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.