SCHEMBL4874793

SCHEMBL4874793

CCC(CC)(C(=O)OBr)C(=O)OBr

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1500317 0.87 MEN1 (0.30) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL809243 0.77 DGAT1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL27961271 0.76 DGAT1 (0.34)
SCHEMBL461078 0.76
SCHEMBL29674742 0.74 DGAT1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL5491676 0.74 TSHR (0.32) ALDH1A1MEN1KMT2A
SCHEMBL1144196 0.74
SCHEMBL3358751 0.74
SCHEMBL9516243 0.74
SCHEMBL1244565 0.72 MEN1 (0.54) ALDH1A1LMNACYP1A2CYP2C9CYP2C19

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773284-B Synthesis method of visible light mediated dihydroisoxazole 河南大学 2024-03-29 CN disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 US disclosed
EP-1543001-A1 NOVEL PYRAZOLOPYRIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-06-22 EP disclosed
WO-2004026871-A1 NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
EP-0871896-B1 A METHOD OF DETERMINING OXYGEN CONCENTRATION IN A SAMPLE NYCOMED IMAGING AS (NO) 2002-01-30 EP disclosed
US-6256527-B1 Method for determining oxygen concentration NYCOMED IMAGING AS (NO) 2001-07-03 US disclosed
EP-0832054-B1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 2000-12-27 EP disclosed
US-6063360-A USEFUL AS CONTRAST AGENT FOR OVERHAUSER MAGNETIC RESONACE IMAGING NYCOMED IMAGING A/S (NO) 2000-05-16 US disclosed
US-5728370-A Free Radicals NYCOMED IMAGING AS (NO) 1998-03-17 US disclosed
US-5663360-A REACTING 3,4-DIMETHOXYAMPHETAMINE WITH 3-CHLOROMANDELIC ACID F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 1997-09-02 US disclosed
WO-1997009633-A1 A METHOD OF DETERMINING OXYGEN CONCENTRATION IN A SAMPLE NYCOMED IMAGING A/S (NO) 1997-03-13 WO disclosed
WO-1996039367-A1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING A/S (NO) 1996-12-12 WO disclosed
EP-0035363-B1 INDANE DERIVATIVES, METHODS OF THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM KEFALAS A/S (DK) 1985-05-02 EP disclosed
US-4443448-A ANALGESICS, ANTIDEPRESSANTS, NEUROLEPTICS KEFALAS A/S (DK) 1984-04-17 US disclosed
EP-0004134-B1 BETA-LACTAM ANTIBACTERIAL AGENTS, THEIR PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THEIR PREPARATION BEECHAM GROUP PLC (GB) 1981-12-30 EP disclosed
EP-0035363-A1 Indane derivatives, methods of their preparation and compositions containing them KEFALAS A/S (DK) 1981-09-09 EP disclosed
US-4252808-A β-Lactam antibacterial agents, their use in pharmaceutical compositions, the process for their preparation and intermediates for use in that process BEECHAM GROUP LIMITED (GB) 1981-02-24 US disclosed
EP-0004134-A1 Beta-lactam antibacterial agents, their pharmaceutical compositions and process for their preparation BEECHAM GROUP PLC (GB) 1979-09-19 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-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents TGFB2, TGFB1, TGFBR1 ALDH1A1 1975/4885LMNA 3991/4885CYP1A2 4047/4885

“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.