SCHEMBL29640239

SCHEMBL29640239

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=S)NC(=O)OCc1ccccc1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
UGT1A1 P22309 3/20 0.34
KCNH2 Q12809 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
SLCO2B1 O94956 1/20 0.33
ABCB11 O95342 1/20 0.33
ABCB1 P08183 1/20 0.33
CCKAR P32238 1/20 0.33
OPRK1 P41145 1/20 0.33
GHSR Q92847 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33

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
SCHEMBL28407464 1.00 TRPV1 (0.38) TRPV1ABL1BCRF2F10
SCHEMBL20908059 0.92 CTSS (0.34) AAK1OPRK1KCNA5CTSSSMN1; SMN2
SCHEMBL28407522 0.92 CTSS (0.34) AAK1OPRK1KCNA5CTSSSMN1; SMN2
SCHEMBL21112593 0.90 TRPV1 (0.39) TRPV1ABL1BCRUGT1A1MLNR
SCHEMBL21112588 0.90 TRPV1 (0.39) TRPV1ABL1BCRUGT1A1MLNR
SCHEMBL22579540 0.85 AAK1 (0.40) AAK1OPRK1CTSSSMN1; SMN2
SCHEMBL28407518 0.85 AAK1 (0.40) AAK1OPRK1CTSSSMN1; SMN2
SCHEMBL29640353 0.85 OPRK1 (0.39) AAK1OPRK1CTSSSMN1; SMN2
SCHEMBL29640243 0.83 CYP3A4 (0.32) KCNH2
SCHEMBL28405406 0.82 SSTR4 (0.35) F2PRSS1AAK1OPRK1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN TRPV1 2705/4885ABL1 1010/4885BCR 3782/4885

“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.