SCHEMBL5648573

SCHEMBL5648573

C[C@@H](Cc1c[nH]c2c(OCC#N)cccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
CTSL P07711 2/20 0.53
TACR1 P25103 2/20 0.45
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
SSTR3 P32745 1/20 0.43
ADRB3 P13945 5/20 0.43
ADRB1 P08588 3/20 0.43
ADRB2 P07550 2/20 0.43
P4HB P07237 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41

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
SCHEMBL5652291 1.00 CTSS (0.53) CTSSCTSKCTSLTACR1MAPT
SCHEMBL5648226 1.00 CTSS (0.53) CTSSCTSKCTSLTACR1MAPT
SCHEMBL5484852 0.86 ADRB3 (0.57) CTSSCTSKCTSLTACR1MAPT
SCHEMBL5484853 0.86 ADRB3 (0.57) CTSSCTSKCTSLTACR1MAPT
SCHEMBL5645892 0.84 ADRB3 (0.55) CTSSCTSKCTSLTACR1MAPT
SCHEMBL7570378 0.84 ADRB3 (0.55) CTSSCTSKCTSLTACR1MAPT
SCHEMBL5645436 0.84 MAPT (0.51) CTSSCTSKCTSLTACR1MAPT
SCHEMBL5644110 0.84 CTSS (0.43) CTSSCTSKCTSLTACR1MAPT
SCHEMBL7636056 0.82 ADRB3 (0.51) CTSSCTSKCTSLTACR1MAPT
SCHEMBL6619517 0.80 CTSS (0.42) CTSSCTSKCTSLMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208505-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-04-24 US disclosed
EP-1421078-B1 INDOLE DERIVATIVES AS BETA-3 ADRENERGIC AGONISTS FOR THE TREATMENT OF TYPE 2 DIABETES LILLY CO ELI (US) 2006-09-27 EP disclosed
US-7087635-B2 3-substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
EP-1444224-B1 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS LILLY CO ELI (US) 2006-05-03 EP disclosed
US-20050159473-A1 3-Substituted oxindole beta3 agonists SALL DANIEL J (US) 2005-07-21 US disclosed
US-6911463-B2 3-substituted oxindole β-3 agonists ELI LILLY AND COMPANY (US) 2005-06-28 US disclosed
US-20050080110-A1 Beta 3 adrenergic agonists SALL DANIEL JON (US) 2005-04-14 US disclosed
US-20040242668-A1 3-substituted oxindole beta-3 agonists SALL DANIEL JON (US) 2004-12-02 US disclosed
EP-1444224-A2 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS ELI LILLY AND COMPANY (US) 2004-08-11 EP disclosed
WO-2003016276-A2 3-SUBSTITUTED OXINDOLE BETA-3 AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 WO 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 (3 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-20040242668-A1 3-substituted oxindole beta-3 agonists ADRB3, ADRB2, ADRB1 CTSS 3791/4885CTSK 3674/4885CTSL 4105/4885
US-20050159473-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 CTSS 3314/4885CTSK 3490/4885CTSL 3992/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 CTSS 3845/4885CTSK 3950/4885CTSL 3974/4885

“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.