Sugi Predict

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SCHEMBL5830929

SCHEMBL5830929

COC(=O)c1ccc(Oc2ccc(CC(C)(C)N)cc2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 1/20 0.45
▸ CFTR P13569 4/20 0.41
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ AR P10275 2/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ ESRRG P62508 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ BRAF P15056 2/20 0.35

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
SCHEMBL696042 0.81 XDH (0.48) ESRRACFTRMAPTKDM4EGAA
SCHEMBL28665319 0.80 AR (0.51) ESRRACFTRMAPTKDM4EALDH1A1
SCHEMBL22979384 0.76 KDM4E (0.51) ESRRACFTRKDM4EALDH1A1HPGD
SCHEMBL29338521 0.75 CFTR (0.50) ESRRACFTRMAPTKDM4EGAA
SCHEMBL10309762 0.75 CFTR (0.49) ESRRACFTRMAPTKDM4EGAA
SCHEMBL1942565 0.75 CYP1A2 (0.46) ESRRACFTRKDM4EALDH1A1AR
SCHEMBL2769865 0.74 CA12 (0.48) ESRRACFTRMAPTKDM4EGAA
SCHEMBL4841210 0.74 THRA (0.47) ESRRACFTRMAPTARNOTUM
SCHEMBL29648992 0.74 EPHX2 (0.50) ESRRACFTRKDM4EALDH1A1MAPK10
SCHEMBL1458185 0.73 GAA (0.60) CFTRMAPTKDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 — — US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 — — US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 — — US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 — — US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 — — US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 — — EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 — — US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 — — 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 ESRRA 526/4885CFTR 964/4885MAPT 3335/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 ESRRA 979/4885CFTR 1240/4885MAPT 4559/4885

“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.