SCHEMBL3133897

SCHEMBL3133897

COCOS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.45
PARL Q9H300 1/20 0.44
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSP90AA1 P07900 1/20 0.41
XBP1 P17861 1/20 0.41
MPI P34949 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR6 P50406 2/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL6115076 0.87 PARL (0.50) PSIP1PARLMAPK1ALDH1A1MAPT
SCHEMBL3911054 0.82 MAPK1 (0.50) PSIP1PARLMAPK1ALDH1A1MAPT
SCHEMBL3131297 0.82 GAA (0.46) ALDH1A1HPGDKMT2ASMN1; SMN2CA12
SCHEMBL15661681 0.80 GAA (0.50) ALDH1A1TDP1NPSR1KDM4EHPGD
SCHEMBL347302 0.78 PSIP1 (0.54) PSIP1PARLMAPK1ALDH1A1MAPT
SCHEMBL3449015 0.78 PARL (0.50) PSIP1PARLMAPK1ALDH1A1MAPT
SCHEMBL12882875 0.77 MAPK1 (0.46) PSIP1PARLMAPK1ALDH1A1MAPT
SCHEMBL3397901 0.77 MAPK1 (0.46) PSIP1PARLMAPK1ALDH1A1MAPT
SCHEMBL20745410 0.77 MAPK1 (0.46) PSIP1PARLMAPK1ALDH1A1MAPT
SCHEMBL28319664 0.77 MAPK1 (0.46) PSIP1PARLMAPK1ALDH1A1MAPT

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543243-B1 PROCESS FOR THE PREPARATION OF CUCURBITURIL DERIVATIVES AQDOT LTD (GB) 2022-02-02 EP claimed
US-10626119-B2 Process for the preparation of cucurbituril and/or one or more derivatives thereof AQDOT LIMITED (GB) 2020-04-21 US claimed
EP-3543243-A1 PROCESS FOR THE PREPARATION OF CUCURBITURIL DERIVATIVES Aqdot Limited (GB) 2019-09-25 EP claimed
US-20190241579-A1 PROCESS FOR THE PREPARATION OF CUCURBITURIL AND/OR ONE OR MORE DERIVATIVES THEREOF AQDOT LIMITED (GB) 2019-08-08 US claimed
CN-110099904-A Process for preparing cucurbituril derivatives 爱客多有限公司 2019-08-06 CN claimed
US-20180244681-A1 PROCESS AQDOT LIMITED (GB) 2018-08-30 US claimed
WO-2018115822-A1 PROCESS FOR THE PREPARATION OF CUCURBITURIL DERIVATIVES AQDOT LIMITED (GB) 2018-06-28 WO claimed
US-RE38934-E1 Method and reagents for N-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-01-10 US claimed
US-20040167358-A1 Method and reagents for N-alkylating ureides GUTMAN DANIELA (IL) 2004-08-26 US claimed
EP-1027339-B1 METHOD AND REAGENTS FOR N-ALKYLATING UREIDES TARO PHARMA IND (IL) 2004-01-02 EP claimed
EP-1342718-A1 Method and reagents for n-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2003-09-10 EP claimed
US-20030018080-A1 N-methoxymethyl-5,5-diphenylbarbituric acid TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-01-23 US claimed
CN-1273581-A Process and reagent for N-alkylation of ureides TARO PHARMA IND (IL) 2000-11-15 CN claimed
EP-1027339-A1 METHOD AND REAGENTS FOR N-ALKYLATING UREIDES TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2000-08-16 EP claimed
US-6093820-A REACTING AN IMIDE WITH A (SUBSTITUTED)ALKOXYALKYLSULFONIC ACID ESTER TO FORM A N-ALKOXYALKYL IMIDE SUCH AS METHOXYMETHYL ETHOSUXIMIDE; ADMINISTERING AS ANTICONVULSANT, ANTIANXIETY AGENT AND MUSCLE RELAXANT TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-07-25 US claimed
WO-1999018084-A1 METHOD AND REAGENTS FOR N-ALKYLATING UREIDES TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 1999-04-15 WO claimed
EP-3543243-B1 PROCESS FOR THE PREPARATION OF CUCURBITURIL DERIVATIVES AQDOT LTD (GB) 2022-02-02 EP disclosed
US-10626119-B2 Process for the preparation of cucurbituril and/or one or more derivatives thereof AQDOT LIMITED (GB) 2020-04-21 US disclosed
US-6093820-A REACTING AN IMIDE WITH A (SUBSTITUTED)ALKOXYALKYLSULFONIC ACID ESTER TO FORM A N-ALKOXYALKYL IMIDE SUCH AS METHOXYMETHYL ETHOSUXIMIDE; ADMINISTERING AS ANTICONVULSANT, ANTIANXIETY AGENT AND MUSCLE RELAXANT TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2000-07-25 US disclosed
WO-1999018084-A1 METHOD AND REAGENTS FOR N-ALKYLATING UREIDES TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 1999-04-15 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 (5 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-20180244681-A1 PROCESS UCHL3, UCHL5, CBR3 PSIP1 480/4885PARL 1839/4885MAPK1 3545/4885
US-20030018080-A1 N-methoxymethyl-5,5-diphenylbarbituric acid MGMT, ALKBH3, ALKBH5 PSIP1 4626/4885PARL 1768/4885MAPK1 3836/4885
US-10626119-B2 Process for the preparation of cucurbituril and/or one or more derivatives thereof UCHL3, UCHL1, UCHL5 PSIP1 453/4885PARL 1881/4885MAPK1 2982/4885
US-20040167358-A1 Method and reagents for N-alkylating ureides MGMT, ETV6, ALKBH3 PSIP1 4432/4885PARL 1374/4885MAPK1 3940/4885
US-20190241579-A1 PROCESS FOR THE PREPARATION OF CUCURBITURIL AND/OR ONE OR MORE DERIVATIVES THEREOF UCHL3, UCHL1, UCHL5 PSIP1 453/4885PARL 1881/4885MAPK1 2982/4885

“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.