SCHEMBL5734705

SCHEMBL5734705

CC(=O)Oc1cccc2c1CC(=O)N2C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 3/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
BLM P54132 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ACHE P22303 2/20 0.38
RECQL P46063 2/20 0.38

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
SCHEMBL8998808 0.84 MAPK1 (0.43) NOTUMMAPK1KDM4EHIF1AALDH1A1
SCHEMBL12290732 0.77 NOTUM (0.57) NOTUMHSD17B10GAAPOLBCES1
SCHEMBL8999080 0.73 MAPK1 (0.42) NOTUMMAPK1KDM4EHIF1AALDH1A1
SCHEMBL3300097 0.72 NOTUM (0.76) NOTUMMAPK1POLB
SCHEMBL4360295 0.70 CYP2A6 (0.42) NOTUMMAPK1KDM4EALDH1A1HSD17B10
SCHEMBL1304374 0.69 NOTUM (1.00) NOTUMKDM4EALDH1A1BLMHPGD
SCHEMBL29850056 0.69 NOTUM (1.00) NOTUMKDM4EALDH1A1BLMHPGD
SCHEMBL2260182 0.69 NOTUM (0.50) NOTUMKDM4EALDH1A1HPGDGAA
SCHEMBL941425 0.69 ALDH1A1 (0.46) MAPK1KDM4EHIF1AALDH1A1HSD17B10
SCHEMBL8999060 0.69 NOTUM (0.43) NOTUMMAPK1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122680-B2 3-Substituted oxindole β3 agonsists ELI LILLY AND COMPANY (US) 2006-10-17 US disclosed
EP-1341759-B1 3-SUBSTITUTED OXINDOLE BETA 3 AGONISTS LILLY CO ELI (US) 2006-06-14 EP disclosed
US-20050054713-A1 3-Substituted oxindole beta3 agonists JESUDASON CYNTHIA DARSHINI (US) 2005-03-10 US disclosed
US-6825220-B2 INVOLVES THE RELATIONSHIP BETWEEN ADRENERGIC RECEPTOR STIMULATION AND ANTI-HYPERGLYCEMIC EFFECTS ELI LILLY AND COMPANY 2004-11-30 US disclosed
US-20040097532-A1 3-Substituted oxindole beta 3 agonists ELI LILLY AND COMPANY 2004-05-20 US disclosed
US-4622336-A ANALGESICS SANDOZ LTD. (CH) 1986-11-11 US disclosed
WO-1983002610-A1 DERIVATIVES OF 3,3-DIALKYL-INDOLIN AND OF 3,3-ALKYLENE-INDOLIN, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SANDOZ AG (CH) 1983-08-04 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 (2 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-20050054713-A1 3-Substituted oxindole beta3 agonists ADRB3, ADRB2, ADRB1 NOTUM 4087/4885MAPK1 1220/4885KDM4E 4223/4885
US-20040097532-A1 3-Substituted oxindole beta 3 agonists ADRB3, ADRB2, ADRB1 NOTUM 3726/4885MAPK1 1136/4885KDM4E 4404/4885

“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.