SCHEMBL2830780

SCHEMBL2830780

N#Cc1ccc(I)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.48
XDH P47989 3/20 0.45
SLC22A12 Q96S37 3/20 0.45
HTT P42858 1/20 0.43
PIN1 Q13526 1/20 0.41
NOTUM Q6P988 1/20 0.41
ALB P02768 3/20 0.41
TTR P02766 1/20 0.41
HNF4A P41235 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
CDK2 P24941 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
Hydrochloric Acid SCHEMBL7951893 0.98 MAP2K1 (0.47) MAP2K1XDHSLC22A12HTTPIN1
SCHEMBL13283750 0.85 MAP2K1 (0.51) MAP2K1XDHSLC22A12HTTPIN1
SCHEMBL7951890 0.83 TTR (0.39) MAP2K1HTTALBTTRCA1
SCHEMBL25247694 0.83 TTR (0.44) MAP2K1HTTALBTTRCA1
SCHEMBL3157619 0.82 XDH (0.53) MAP2K1XDHSLC22A12HTTPIN1
SCHEMBL6229092 0.81 HNF4A (0.40) MAP2K1HTTTTRHNF4AKMT2A
SCHEMBL6072228 0.79 POLB (0.43) MAP2K1ALBTTRCA1CA2
SCHEMBL7196160 0.78 XDH (0.46) MAP2K1XDHSLC22A12HTTPIN1
SCHEMBL30902488 0.78 HNF4A (0.62) XDHSLC22A12HTTHNF4ACA1
SCHEMBL16955075 0.78 TTR (0.47) MAP2K1ALBTTRCA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290344-A1 BIODEGRADABLE POLYESTER- AND POLY(ESTER AMIDE) BASED X-RAY IMAGING AGENTS CLEMSON UNIVERSITY RESEARCH FOUNDATION 2015-10-15 US claimed
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-4426434-A1 PPARG INVERSE AGONISTS AND USES THEREOF Flare Therapeutics, Inc. (US) 2024-09-11 EP disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
WO-2006072436-A1 [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-13 WO disclosed
US-20060149062-A1 Sulfanyl substituted phenyl methanones F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 US disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 MAP2K1 3521/4885XDH 1547/4885SLC22A12 80/4885
US-20060149062-A1 Sulfanyl substituted phenyl methanones SULT1A1, SULT2A1, SULT1E1 MAP2K1 3944/4885XDH 148/4885SLC22A12 123/4885
US-20150290344-A1 BIODEGRADABLE POLYESTER- AND POLY(ESTER AMIDE) BASED X-RAY IMAGING AGENTS PUF60, ARG1, PAM MAP2K1 3433/4885XDH 2521/4885SLC22A12 3363/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 MAP2K1 3586/4885XDH 509/4885SLC22A12 481/4885
US-20250084038-A1 PPARG INVERSE AGONISTS AND USES THEREOF PPARG, PPARA, PPARD MAP2K1 3508/4885XDH 2171/4885SLC22A12 1912/4885
US-20250197357-A1 PPARG INVERSE AGONISTS AND USES THEREOF PPARG, PPARA, PPARD MAP2K1 3542/4885XDH 2211/4885SLC22A12 1832/4885

“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.