SCHEMBL5484853

SCHEMBL5484853

CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.57
ADRB1 P08588 4/20 0.57
ADRB2 P07550 3/20 0.57
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
SSTR3 P32745 1/20 0.47
TACR1 P25103 2/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
ACE P12821 1/20 0.44
POLB P06746 1/20 0.43
P4HB P07237 1/20 0.43
SCN9A Q15858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL5484852 1.00 ADRB3 (0.57) ADRB3ADRB1ADRB2CTSLCTSS
SCHEMBL7570378 0.88 ADRB3 (0.55) ADRB3ADRB1ADRB2CTSLCTSS
SCHEMBL5645892 0.88 ADRB3 (0.55) ADRB3ADRB1ADRB2CTSLCTSS
SCHEMBL7636056 0.88 ADRB3 (0.51) ADRB3ADRB1ADRB2CTSLCTSS
SCHEMBL5648573 0.86 CTSS (0.53) ADRB3ADRB1ADRB2CTSLCTSS
SCHEMBL5648226 0.86 CTSS (0.53) ADRB3ADRB1ADRB2CTSLCTSS
SCHEMBL5652291 0.86 CTSS (0.53) ADRB3ADRB1ADRB2CTSLCTSS
SCHEMBL5645436 0.86 MAPT (0.51) ADRB3CTSLCTSSCTSKSSTR3
SCHEMBL5644205 0.83 ADRB3 (0.47) ADRB3ADRB1ADRB2CTSLCTSS
SCHEMBL24178475 0.79 CTSL (0.67) CTSLCTSSCTSKSSTR3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 EP 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 ADRB3 1/4885ADRB1 4/4885ADRB2 3/4885

“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.