SCHEMBL21148929

SCHEMBL21148929

C=C(C)C[C@](NC(=S)NC(=O)OCc1ccccc1)(C(=O)OC(C)C)c1ccc(-c2cnccn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
ELANE P08246 3/20 0.32
MAOA P21397 1/20 0.32
NAMPT P43490 1/20 0.32
MAPK1 P28482 2/20 0.32
ROCK2 O75116 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
ATM Q13315 1/20 0.31
CYP3A4 P08684 1/20 0.31
WNT3A P56704 1/20 0.31
OPRK1 P41145 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
SCHEMBL28404540 0.84 AAK1 (0.37) KMT2ALMNAMEN1ATMOPRK1
SCHEMBL29640239 0.80 TRPV1 (0.38) OPRK1
SCHEMBL28407464 0.80 TRPV1 (0.38) OPRK1
SCHEMBL28407522 0.77 CTSS (0.34) ELANEKMT2APOLBMEN1ATM
SCHEMBL20908059 0.77 CTSS (0.34) ELANEKMT2APOLBMEN1ATM
SCHEMBL20899945 0.73 GAA (0.37) KMT2ALMNAMEN1OPRK1
SCHEMBL20899946 0.73 GAA (0.37) KMT2ALMNAMEN1OPRK1
SCHEMBL21149555 0.73 MEN1 (0.36) ELANEROCK2KMT2AMEN1ATM
SCHEMBL28403733 0.73 MEN1 (0.36) ELANEROCK2KMT2AMEN1ATM
SCHEMBL22579540 0.72 AAK1 (0.40) KMT2AMEN1ATMCYP3A4OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 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 (2 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN PPARG 4840/4885ELANE 176/4885MAOA 1674/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN PPARG 4865/4885ELANE 113/4885MAOA 1289/4885

“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.