SCHEMBL16299702

SCHEMBL16299702

C=CC(C)(C)C(=O)NC(C)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.38
TSHR P16473 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CA12 O43570 1/20 0.36
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
BIRC2 Q13490 1/20 0.34
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL10223236 0.78 CA14 (0.45) CA14TSHRMEN1KMT2ACA12
SCHEMBL17130270 0.78 CA14 (0.45) CA14TSHRMEN1KMT2ACA12
SCHEMBL23894861 0.78 CA14 (0.45) CA14TSHRMEN1KMT2ACA12
SCHEMBL21638018 0.78 CA14 (0.45) CA14TSHRMEN1KMT2ACA12
SCHEMBL17130272 0.78 CA14 (0.45) CA14TSHRMEN1KMT2ACA12
SCHEMBL14411925 0.75 CA14 (0.42) CA14TSHRMEN1KMT2ACA12
SCHEMBL21629443 0.72 TSHR (0.58) CA14TSHRMEN1KMT2AMAPT
SCHEMBL21368255 0.72 TSHR (0.58) CA14TSHRMEN1KMT2AMAPT
SCHEMBL8944922 0.72 CA14 (0.43) CA14TSHRMEN1KMT2ACA12
SCHEMBL4337217 0.70 SMN1; SMN2 (0.36) CA14TSHRMEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088923-B2 Cyclic-fused beta-lactones and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-01-03 US disclosed
US-20090062547-A1 CYCLIC-FUSED BETA-LACTONES AND THEIR SYNTHESIS THE TEXAS A&M UNIVERSITY SYSTEM 2009-03-05 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 (1 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-20090062547-A1 CYCLIC-FUSED BETA-LACTONES AND THEIR SYNTHESIS COASY, FASN, OTUB1 CA14 2883/4885TSHR 4563/4885MEN1 3332/4885

“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.