SCHEMBL11902412

SCHEMBL11902412

CC(C)C[C@@H]1NC[C@H](c2ccccc2)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.42
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GHSR Q92847 4/20 0.37
CCR5 P51681 4/20 0.36
MMP3 P08254 1/20 0.35
CASP1 P29466 1/20 0.35
LMNA P02545 2/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL11902758 1.00 PRCP (0.42) PRCPGAAHTTPAX8MEN1
SCHEMBL11902834 0.87 PRCP (0.35) PRCPGAAHTTPAX8MEN1
SCHEMBL11902976 0.86 TDP1 (0.39) PRCPGAAHTTPAX8GHSR
SCHEMBL11902872 0.86 SLC6A3 (0.37) PRCPGAAHTTPAX8GHSR
SCHEMBL11902813 0.86 PRCP (0.47) PRCPGAAHTTPAX8MEN1
SCHEMBL11902399 0.84 TDP1 (0.37) PRCP
SCHEMBL11903384 0.82 PARP1 (0.42) PRCPMEN1KMT2A
SCHEMBL11903053 0.82 PRCP (0.43) PRCPGAAHTTPAX8GHSR
SCHEMBL11902304 0.81 ADORA2B (0.44) PRCPHTTMEN1KMT2A
SCHEMBL11902624 0.81 PRCP (0.42) PRCPGAAHTTPAX8MEN1

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-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 PRCP 997/4885GAA 231/4885HTT 4367/4885

“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.