SCHEMBL29640243

SCHEMBL29640243

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=S)NC(=O)OCc1ccccc1)c1ccc(-c2cnn(C3CC3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.32
TSHR P16473 6/20 0.32
ALDH1A1 P00352 3/20 0.32
HCRTR1 O43613 1/20 0.31
ELANE P08246 1/20 0.31
ATM Q13315 1/20 0.31
DAGLA Q9Y4D2 3/20 0.30
DAGLB Q8NCG7 2/20 0.30
FKBP1A P62942 1/20 0.30
DPP4 P27487 1/20 0.30
KCNH2 Q12809 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP2D6 P10635 1/20 0.30
CCR1 P32246 1/20 0.30

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
SCHEMBL28412324 0.93 MEN1 (0.33) ELANEDAGLADAGLB
SCHEMBL28412323 0.93 MEN1 (0.33) ELANEDAGLADAGLB
SCHEMBL20899977 0.91 HCRTR1 (0.33) CYP3A4TSHRALDH1A1HCRTR1DAGLA
SCHEMBL20899976 0.91 HCRTR1 (0.33) CYP3A4TSHRALDH1A1HCRTR1DAGLA
SCHEMBL20900087 0.85 MEN1 (0.34) HCRTR1ELANEDAGLADAGLB
SCHEMBL20900090 0.85 MEN1 (0.34) HCRTR1ELANEDAGLADAGLB
SCHEMBL29640239 0.83 TRPV1 (0.38) KCNH2
SCHEMBL28407464 0.83 TRPV1 (0.38) KCNH2
SCHEMBL20908059 0.81 CTSS (0.34) ELANEATMPOLB
SCHEMBL28407522 0.81 CTSS (0.34) ELANEATMPOLB

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 CYP3A4 922/4885TSHR 4797/4885ALDH1A1 1247/4885

“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.