SCHEMBL7227003

SCHEMBL7227003

COC(=O)[C@@H]1OC(c2ccccc2)=N[C@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.42
WDR48 Q8TAF3 1/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.39
MAOB P27338 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
ITGA4 P13612 1/20 0.38
SLC6A4 P31645 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 1/20 0.37
MMP9 P14780 1/20 0.37
TSHR P16473 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL8021171 1.00 USP1 (0.42) USP1WDR48POLBCYP2D6MAOB
SCHEMBL7219023 1.00 USP1 (0.42) USP1WDR48POLBCYP2D6MAOB
SCHEMBL14543852 0.86 USP1 (0.42) USP1WDR48MAOBALDH1A1SMN1; SMN2
SCHEMBL7221650 0.85 PDCD1 (0.42) USP1WDR48MAOBALDH1A1MAPT
SCHEMBL8036861 0.85 TSHR (0.56) USP1WDR48CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL8036865 0.85 TSHR (0.56) USP1WDR48CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL29101714 0.83 USP1 (0.47) USP1WDR48MAOBMMP9
SCHEMBL6427211 0.83 USP1 (0.47) USP1WDR48MAOBMMP9
SCHEMBL5968665 0.83 USP1 (0.47) USP1WDR48MAOBMMP9
SCHEMBL5160271 0.83 USP1 (0.47) USP1WDR48MAOBMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6583292-B2 Admixing an oxazole derivative with a base and a compound composed of an alcohol and/or an alkoxide EMORY UNIVERSITY 2003-06-24 US disclosed
US-20020087026-A1 Methods for the esterification of alcohols and compounds useful therefor as potential anticancer agents EMORY UNIVERSITY 2002-07-04 US disclosed
US-6399783-B1 CHEMICAL INTERMEDIATE FOR TAXOL EMORY UNIVERSITY 2002-06-04 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
US-6150537-A Methods for the esterification of alcohols and compounds useful therefor as potential anticancer agents EMORY UNIVERSITY (US) 2000-11-21 US disclosed
EP-1040105-A2 METHODS FOR THE ESTERIFICATION OF ALCOHOLS AND COMPOUNDS USEFUL THEREFOR AS POTENTIAL ANTICANCER AGENTS EMORY UNIVERSITY (US) 2000-10-04 EP disclosed
US-6127546-A Process for the preparation of oxazoline compound DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 2000-10-03 US disclosed
US-6020174-A (2R,3S)- AND (2S,3R)-ENANTIOMERS OF TRANS-.BETA.-PHENYLGLYCIDIC ESTERS, PREPARED BY LIPASE-MEDIATED ENANTIOSELECTIVE TRANSESTERIFICATION, ARE USED FOR THE SYNTHESIS OF THE TAXOL C-13 SIDE CHAIN THE BOARD OF GOVERNORS FOR HIGHER EDUCATION (US) 2000-02-01 US disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
WO-1999031079-A2 METHODS FOR THE ESTERIFICATION OF ALCOHOLS AND COMPOUNDS USEFUL THEREFOR AS POTENTIAL ANTICANCER AGENTS EMORY UNIVERSITY (US) 1999-06-24 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 (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-20020087026-A1 Methods for the esterification of alcohols and compounds useful therefor as potential anticancer agents FAR1, ADH1A, ADH1C USP1 3653/4885WDR48 3525/4885POLB 951/4885

“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.