SCHEMBL29577154

SCHEMBL29577154

CC(C)NC(=O)COc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
HCRTR1 O43613 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL15638069 1.00 HIF1A (0.49) HIF1AHSD17B10KDM4EALDH1A1GAA
SCHEMBL21681323 0.90 HIF1A (0.48) HIF1AHSD17B10KDM4EALDH1A1GAA
SCHEMBL18343133 0.90 HIF1A (0.48) HIF1AHSD17B10KDM4EALDH1A1GAA
SCHEMBL21681292 0.90 HIF1A (0.48) HIF1AHSD17B10KDM4EALDH1A1GAA
SCHEMBL18343201 0.88 HIF1A (0.48) HIF1AHSD17B10KDM4EGAAKMT2A
SCHEMBL18343289 0.88 HIF1A (0.46) HIF1AHSD17B10KDM4EALDH1A1GAA
SCHEMBL14241706 0.86 HIF1A (0.52) HIF1AHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL18343362 0.86 LMNA (0.49) HIF1AHSD17B10KDM4EALDH1A1GAA
SCHEMBL21217992 0.85 HIF1A (0.56) HIF1AKDM4EALDH1A1GAALMNA
SCHEMBL17315510 0.84 HIF1A (0.46) HIF1AHSD17B10KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116293-A2 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2023-01-11 EP disclosed
US-20220395501-A1 TREATMENT OF GVHD KADMON CORP LLC (US) 2022-12-15 US disclosed
CN-115385899-A Deuterated drug of ROCK2 inhibitor belumosudil and application thereof 药康众拓(江苏)医药科技有限公司 2022-11-25 CN disclosed
EP-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 EP disclosed
US-11311541-B2 Treatment of GVHD KADMON CORPORATION, LLC (US) 2022-04-26 US 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-20220395501-A1 TREATMENT OF GVHD ROCK2, ROCK1, RHOXF2 HIF1A 2063/4885HSD17B10 864/4885KDM4E 129/4885
US-11311541-B2 Treatment of GVHD ROCK2, ROCK1, RHOA HIF1A 1680/4885HSD17B10 814/4885KDM4E 95/4885

“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.