SCHEMBL6072228

SCHEMBL6072228

COC(=O)c1cc(C#N)ccc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAP2K1 Q02750 2/20 0.41
NAMPT P43490 1/20 0.40
GAA P10253 1/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
PTPN11 Q06124 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL16632806 0.87 MAP2K1 (0.44) POLBRXFP1MAP2K1NAMPTGAA
SCHEMBL11520744 0.84 CA12 (0.46) POLBRXFP1MAP2K1NAMPTGAA
SCHEMBL1129461 0.83 GABRA1 (0.38) MAP2K1TTRALBAREGLN2
SCHEMBL1321345 0.81 ALDH1A1 (0.44) POLBRXFP1NAMPTGAAKDM4E
SCHEMBL4314458 0.81 NAMPT (0.41) POLBRXFP1NAMPTGAAKDM4E
SCHEMBL546514 0.81 CA12 (0.61) NAMPTGAAPTPN11CA12CA1
SCHEMBL30373299 0.81 ALDH1A1 (0.44) POLBRXFP1NAMPTGAAKDM4E
SCHEMBL25247694 0.81 TTR (0.44) MAP2K1TTRALBALDH1A1CA1
SCHEMBL7068350 0.80 NAMPT (0.40) POLBRXFP1NAMPTGAAKDM4E
SCHEMBL14797327 0.80 NCEH1 (0.41) POLBRXFP1NAMPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653053-A1 PPARG INVERSE AGONISTS AND USES THEREOF Flare Therapeutics, Inc. (US) 2025-11-26 EP disclosed
EP-4426434-B1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC (US) 2025-08-20 EP disclosed
US-20250197357-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2025-06-19 US disclosed
CN-119677720-A PPARG inverse agonists and uses thereof 弗拉雷治疗公司 2025-03-21 CN disclosed
US-20250084038-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2025-03-13 US disclosed
CN-119585237-A PPARG inverse agonists and uses thereof 弗拉雷治疗公司 2025-03-07 CN disclosed
EP-4489863-A1 PPARG INVERSE AGONISTS AND USES THEREOF Flare Therapeutics, Inc. (US) 2025-01-15 EP disclosed
EP-4426434-A1 PPARG INVERSE AGONISTS AND USES THEREOF Flare Therapeutics, Inc. (US) 2024-09-11 EP disclosed
US-11820747-B2 PPARG inverse agonists and uses thereof FLARE THERAPEUTICS INC. (US) 2023-11-21 US disclosed
US-20230331678-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. 2023-10-19 US disclosed
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
EP-1525183-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-04-27 EP disclosed
US-20040142993-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004002940-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY (US) 2004-01-08 WO disclosed
US-6211189-B1 NITRIC OXIDE SYNTHASE INHIBITORS; ANTIINFLAMMATORY AGENTS, ANALGESICS ASTRAZENECA UK LIMITED (GB) 2001-04-03 US disclosed
CN-1268138-A Compounds ASTRA PHARMA PROD (GB) 2000-09-27 CN disclosed
US-6083952-A Compounds ASTRA PHARMACEUTICALS LIMITED (GB) 2000-07-04 US disclosed
EP-1000064-A1 COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999001455-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-14 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 (6 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-20040142993-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 POLB 11/4885RXFP1 4544/4885MAP2K1 4688/4885
US-11820747-B2 PPARG inverse agonists and uses thereof PPARG, PPARA, PPARD POLB 1196/4885RXFP1 286/4885MAP2K1 3508/4885
US-20250084038-A1 PPARG INVERSE AGONISTS AND USES THEREOF PPARG, PPARA, PPARD POLB 1196/4885RXFP1 286/4885MAP2K1 3508/4885
US-20250197357-A1 PPARG INVERSE AGONISTS AND USES THEREOF PPARG, PPARA, PPARD POLB 1203/4885RXFP1 284/4885MAP2K1 3542/4885
US-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A POLB 1887/4885RXFP1 44/4885MAP2K1 3876/4885
US-20230331678-A1 PPARG INVERSE AGONISTS AND USES THEREOF PPARG, PPARA, PPARD POLB 1196/4885RXFP1 286/4885MAP2K1 3508/4885

“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.