SCHEMBL4652298

SCHEMBL4652298

CCc1cc(O)ccc1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.42
TTR P02766 1/20 0.40
TYR P14679 3/20 0.39
HSP90AB1 P08238 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TNIK Q9UKE5 4/20 0.39
HSD17B1 P14061 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ESRRB O95718 1/20 0.39
ESRRA P11474 1/20 0.39
ANPEP P15144 1/20 0.39
DPP4 P27487 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 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
SCHEMBL10087503 0.84 TYR (0.45) HSD17B3TTRTYRHSP90AB1GABRA1
SCHEMBL18870832 0.79 TYR (0.39) TYRLMNAHPGDHIF1AHSD17B10
SCHEMBL30979257 0.78 TYR (0.48) HSD17B3TYRHSP90AB1GABRA1GABRB2
SCHEMBL1724358 0.78 TYR (0.48) HSD17B3TYRHSP90AB1GABRA1GABRB2
SCHEMBL3570300 0.77 ABAT (0.41) TYRCYP3A4MAPTTSHR
SCHEMBL26586506 0.77 TYR (0.38) TYRLMNAHPGDHIF1AHSD17B10
SCHEMBL6510330 0.77 GRIN2D (0.36) TTRGABRA1GABRB2HSD17B1ESR1
SCHEMBL28221881 0.77 TYR (0.34) TYRESR1ESR2MEN1KMT2A
SCHEMBL29531568 0.76 ANPEP (0.49) HSD17B3TYRHSP90AB1GABRA1GABRB2
SCHEMBL29408416 0.76 ESR1 (0.57) TYRHSP90AB1HSD17B1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180215-B2 Substituted pyrrolo[3,4-d]imidazoles as JAK inhibitors HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-12-31 US disclosed
EP-3932919-B1 JAK INHIBITOR COMPOUND AND USE THEREOF HENAN MEDINNO PHARMACEUTICAL TECH CO LTD (CN) 2024-06-26 EP disclosed
US-20230201165-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-06-29 US disclosed
US-20230201165-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-06-29 US disclosed
US-20230201165-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-06-29 US disclosed
US-20230192711-A1 JAK INHIBITOR COMPOUND AND USE THEREOF HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192711-A1 JAK INHIBITOR COMPOUND AND USE THEREOF HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192711-A1 JAK INHIBITOR COMPOUND AND USE THEREOF HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-06-22 US disclosed
EP-4186907-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA Henan Medinno Pharmaceutical Technology Co., Ltd. (CN) 2023-05-31 EP disclosed
US-11629148-B2 Substituted pyrrolo[3,4-d]imidazoles as JAK inhibitors HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-04-18 US disclosed
CN-111606908-B JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2021-08-24 CN disclosed
CN-111606908-A JAK inhibitor compounds and uses thereof 河南迈英诺医药科技有限公司 2020-09-01 CN disclosed
EP-1408986-B1 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2008-09-24 EP disclosed
US-7312246-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2007-12-25 US disclosed
EP-1408986-A4 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2006-01-11 EP disclosed
US-20050215563-A1 Proteomimetic compounds and methods YALE UNIVERSITY 2005-09-29 US disclosed
US-6858600-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2005-02-22 US disclosed
EP-1408986-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2004-04-21 EP disclosed
US-20030008882-A1 Proteomimetic compounds and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002089738-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2002-11-14 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-20030008882-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 HSD17B3 3620/4885TTR 138/4885TYR 4225/4885
US-12180215-B2 Substituted pyrrolo[3,4-d]imidazoles as JAK inhibitors JAK1, JAK2, JAK3 HSD17B3 1855/4885TTR 3184/4885TYR 367/4885
US-20230192711-A1 JAK INHIBITOR COMPOUND AND USE THEREOF JAK2, JAK1, JAK3 HSD17B3 2024/4885TTR 2874/4885TYR 282/4885
US-20230201165-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA JAK1, JAK2, JAK3 HSD17B3 2714/4885TTR 1906/4885TYR 1696/4885
US-11629148-B2 Substituted pyrrolo[3,4-d]imidazoles as JAK inhibitors JAK1, JAK3, JAK2 HSD17B3 1322/4885TTR 2316/4885TYR 316/4885
US-20050215563-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 HSD17B3 3620/4885TTR 138/4885TYR 4225/4885

“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.