SCHEMBL384989

SCHEMBL384989

COC(=O)/C=C/[C@@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CTSK P43235 10/20 0.40
CYP2D6 P10635 1/20 0.40
CTSS P25774 4/20 0.38
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17275374 1.00 CA1 (0.44) CA1CA2CA7HCAR2KEAP1
SCHEMBL31449996 1.00 CA1 (0.44) CA1CA2CA7HCAR2KEAP1
SCHEMBL384007 1.00 CA1 (0.44) CA1CA2CA7HCAR2KEAP1
SCHEMBL17275373 1.00 CA1 (0.44) CA1CA2CA7HCAR2KEAP1
SCHEMBL17275371 1.00 CA1 (0.44) CA1CA2CA7HCAR2KEAP1
SCHEMBL20326329 0.84 CA1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL31450038 0.84 CA1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL20334633 0.84 CA1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL3096574 0.84 CA1 (0.45) CA1CA2CA7CTSKCYP2D6
SCHEMBL3096580 0.84 CA1 (0.45) CA1CA2CA7CTSKCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026721-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K VIVIDION THERAPEUTICS, INC. 2025-01-23 US disclosed
US-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-09-26 US disclosed
WO-2024178335-A2 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-08-29 WO disclosed
EP-4373825-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2024-05-29 EP disclosed
WO-2023004376-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2023-01-26 WO disclosed
US-8101588-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-01-24 US disclosed
EP-2289893-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2011-03-02 EP disclosed
US-7723340-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
US-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith PHARMACOPEIA, LLC 2006-12-21 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 (3 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-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 CA1 3051/4885CA2 2404/4885CA7 2815/4885
US-20250026721-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K KRAS, HRAS, NRAS CA1 4347/4885CA2 3649/4885CA7 3489/4885
US-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK20, CDK3 CA1 2902/4885CA2 2755/4885CA7 4335/4885

“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.