SCHEMBL5873341

SCHEMBL5873341

CS(=O)(=O)OCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CA2 P00918 4/20 0.50
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
AR P10275 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
AGTR1 P30556 1/20 0.40
IDO1 P14902 1/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
AGXT P21549 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
SCHEMBL27571883 0.86 TSHR (0.60) TSHRCA2CA1CA9AR
SCHEMBL249386 0.84 CA2 (0.63) TSHRCA2CA1CA9AR
Benzene SCHEMBL27447210 0.84 CA2 (0.63) TSHRCA2CA1CA9AR
SCHEMBL2076848 0.83 TSHR (0.50) TSHRCA2CA1CA9AR
SCHEMBL30388469 0.81 TSHR (0.48) TSHRCA2CA1CA9AR
SCHEMBL12013298 0.81 TSHR (0.48) TSHRCA2CA1CA9AR
SCHEMBL6379981 0.81 TSHR (0.48) TSHRCA2CA1CA9AR
SCHEMBL10316643 0.81 TSHR (0.48) TSHRCA2CA1CA9AR
SCHEMBL25622617 0.81 TSHR (0.48) TSHRCA2CA1CA9AR
SCHEMBL2078239 0.80 ALDH1A1 (0.52) TSHRCA2CA1CA9AR

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 34 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
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
CN-1193019-C Process and reagent for N-alkylation of ureides TARO PHARMA IND (IL) 2005-03-16 CN 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
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
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
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
EP-3543243-A1 PROCESS FOR THE PREPARATION OF CUCURBITURIL DERIVATIVES Aqdot Limited (GB) 2019-09-25 EP disclosed
EP-1027339-B1 METHOD AND REAGENTS FOR N-ALKYLATING UREIDES TARO PHARMA IND (IL) 2004-01-02 EP disclosed
US-6664262-B2 N-methoxymethyl-5,5-diphenylbarbituric acid TARO PHARMACEUTICALS INDUSTRIES LTD. (IL) 2003-12-16 US disclosed
EP-1342718-A1 Method and reagents for n-alkylating ureides TARO PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2003-09-10 EP disclosed
CN-1273581-A Process and reagent for N-alkylation of ureides TARO PHARMA IND (IL) 2000-11-15 CN 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 TSHR 4166/4885CA2 4098/4885CA1 3884/4885
US-20030018080-A1 N-methoxymethyl-5,5-diphenylbarbituric acid MGMT, ALKBH3, ALKBH5 TSHR 3284/4885CA2 368/4885CA1 645/4885
US-10626119-B2 Process for the preparation of cucurbituril and/or one or more derivatives thereof UCHL3, UCHL1, UCHL5 TSHR 3492/4885CA2 4288/4885CA1 3958/4885
US-20040167358-A1 Method and reagents for N-alkylating ureides MGMT, ETV6, ALKBH3 TSHR 3045/4885CA2 257/4885CA1 358/4885
US-20190241579-A1 PROCESS FOR THE PREPARATION OF CUCURBITURIL AND/OR ONE OR MORE DERIVATIVES THEREOF UCHL3, UCHL1, UCHL5 TSHR 3492/4885CA2 4288/4885CA1 3958/4885

“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.