SCHEMBL21578073

SCHEMBL21578073

CC(CCC(=O)O)Cc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.46
TMPRSS15 P98073 3/20 0.46
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
SLC7A5 Q01650 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CPA3 P15088 1/20 0.38
SMO Q99835 1/20 0.37
ATM Q13315 1/20 0.37
NR1H4 Q96RI1 2/20 0.36
EPHX2 P34913 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
SCHEMBL21577937 0.88 HDAC1 (0.48) PRSS1TMPRSS15SLC7A5CA12CA1
SCHEMBL21578138 0.84 SLC7A5 (0.64) PRSS1TMPRSS15CYSLTR2CYSLTR1SLC7A5
SCHEMBL20168730 0.84 CPA3 (0.46) PRSS1TMPRSS15SLC7A5NPSR1CA12
SCHEMBL15828913 0.84 SLC7A5 (0.47) SLC7A5CA12CA1CA2CA9
SCHEMBL3790673 0.82 NR1H4 (0.51) NPSR1CA12CA1CA2CA9
SCHEMBL21577928 0.82 HTT (0.56) PRSS1TMPRSS15CYSLTR2CYSLTR1CA12
SCHEMBL21577939 0.81 SLC7A5 (0.40) PRSS1TMPRSS15SLC7A5CA12CA1
SCHEMBL21578054 0.81 SLC7A5 (0.39) SLC7A5CA12CA1CA2CA9
SCHEMBL21578143 0.80 SLC7A5 (0.56) PRSS1TMPRSS15CYSLTR2CYSLTR1SLC7A5
SCHEMBL26427155 0.80 ADRB2 (0.36) PRSS1TMPRSS15SLC7A5NPSR1CA12

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-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-04-27 US disclosed
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2021-11-18 US disclosed
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-13 US disclosed
US-20190352255-A1 NOVEL PRODRUG COMPOSITIONS AND UTILITY OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2019-11-21 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 (4 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-20190352255-A1 NOVEL PRODRUG COMPOSITIONS AND UTILITY OF HYDROXAMATE-BASED GCPII INHIBITORS GPI, TPI1, HPGDS PRSS1 526/4885TMPRSS15 179/4885CYSLTR2 1976/4885
US-20210355079-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS TPI1, HPGDS, GPI PRSS1 589/4885TMPRSS15 202/4885CYSLTR2 2061/4885
US-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) SLC10A2, GPBAR1, NR1H4 PRSS1 2096/4885TMPRSS15 1117/4885CYSLTR2 662/4885
US-11059775-B2 Prodrug compositions and utility of hydroxamate-based GCPII inhibitors GLS, HPGDS, GPI PRSS1 694/4885TMPRSS15 208/4885CYSLTR2 2293/4885

“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.