SCHEMBL207543

SCHEMBL207543

COc1ccc(CN(CC(=O)O)C(=O)CC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TDP1 Q9NUW8 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ TSPO P30536 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ LDHA P00338 1/20 0.43

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
SCHEMBL211062 0.83 TSHR (0.51) TSHRUSP2TDP1ALDH1A1HTT
SCHEMBL16008426 0.81 TSHR (0.48) TSHRUSP2TDP1ALDH1A1HTT
SCHEMBL20472128 0.80 TDP1 (0.54) TSHRUSP2TDP1ALDH1A1HTT
SCHEMBL18942071 0.78 ALDH1A1 (0.54) TSHRUSP2TDP1ALDH1A1HTT
SCHEMBL14252330 0.78 ALDH1A1 (0.48) TSHRUSP2TDP1ALDH1A1HTT
SCHEMBL3484433 0.78 TDP1 (0.60) TSHRUSP2TDP1ALDH1A1HTT
SCHEMBL9416611 0.76 TSPO (0.58) TSHRUSP2TDP1ALDH1A1HTT
SCHEMBL18646559 0.76 TSHR (0.62) TSHRUSP2TDP1ALDH1A1HTT
SCHEMBL27035726 0.76 ALDH1A1 (0.52) TSHRUSP2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL25143322 0.75 TSHR (0.57) TSHRUSP2TDP1ALDH1A1HTT

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 4 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-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
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 TSHR 4563/4885USP2 94/4885TDP1 4229/4885

“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.

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