SCHEMBL387476

SCHEMBL387476

CC(C)(C)N(CCNS(=O)(=O)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.57
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.46
OPRK1 P41145 4/20 0.45
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OPRM1 P35372 2/20 0.44
MAPK1 P28482 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL388620 0.85 MMP2 (0.44) SIGMAR1MMP1MMP2MMP3MMP7
SCHEMBL3412319 0.80 CA1 (0.43) SIGMAR1ALDH1A1TSHRNPSR1MAPK1
SCHEMBL15915623 0.80 RECQL (0.53)
SCHEMBL1348425 0.76 TSHR (0.73) SIGMAR1GAAALDH1A1TSHRNPSR1
SCHEMBL1348420 0.75 ALDH1A1 (0.64) SIGMAR1MMP1MMP2MMP3MMP7
SCHEMBL16015070 0.75 SIGMAR1 (0.53) SIGMAR1MMP1MMP2MMP3MMP7
SCHEMBL9577239 0.75 SIGMAR1 (0.68) SIGMAR1MMP1MMP2MMP3MMP7
SCHEMBL1028215 0.75 KMT2A (0.55) MMP1MMP2MMP9MMP13ALDH1A1
SCHEMBL1028213 0.75 KMT2A (0.55) MMP1MMP2MMP9MMP13ALDH1A1
SCHEMBL930036 0.74 KDM4D (0.34) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 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 (4 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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC SIGMAR1 3676/4885MMP1 4369/4885MMP2 3123/4885
US-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE SIGMAR1 3919/4885MMP1 4102/4885MMP2 4333/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 SIGMAR1 4020/4885MMP1 3409/4885MMP2 4071/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE SIGMAR1 3919/4885MMP1 4102/4885MMP2 4333/4885

“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.