SCHEMBL4415752

SCHEMBL4415752

CCCc1nc(CN(C)C(=O)N[C@H](C(=O)N[C@H](Cc2ccccc2)C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.83
CYP2D6 P10635 7/20 0.83
CYP2C19 P33261 4/20 0.83
CYP2C9 P11712 4/20 0.83
MEN1 O00255 1/20 0.83
SLC22A2 O15244 1/20 0.83
SLC22A1 O15245 1/20 0.83
ABCC3 O15438 1/20 0.83
ABCC4 O15439 1/20 0.83
MLNR O43193 1/20 0.83
NR1I2 O75469 1/20 0.83
SLCO2B1 O94956 1/20 0.83
ABCB11 O95342 1/20 0.83
ALDH1A1 P00352 1/20 0.83
PGR P06401 1/20 0.83
ABCB1 P08183 1/20 0.83
HTR1A P08908 1/20 0.83
ADRA2A P08913 1/20 0.83
ADORA3 P0DMS8 1/20 0.83
MAPT P10636 1/20 0.83

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
SCHEMBL7176977 1.00 CYP3A4 (0.83) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7178542 0.96 CYP3A4 (0.83) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7091129 0.95 CYP3A4 (0.84) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7181538 0.95 CYP3A4 (0.81) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7180588 0.94 CYP3A4 (0.84) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7183736 0.94 CYP3A4 (0.84) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7176900 0.94 CYP3A4 (0.84) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7181186 0.94 CYP3A4 (0.83) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL7179514 0.92 CYP3A4 (0.81) CYP3A4CYP2D6CYP2C19CYP2C9MEN1
SCHEMBL23692882 0.92 CYP3A4 (0.86) CYP3A4CYP2D6CYP2C19CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428060-B2 PI-kinase inhibitors with anti-infective activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-10-01 US disclosed
US-20180170924-A1 PI-KINASE INHIBITORS WITH ANTI-INFECTIVE ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2018-06-21 US disclosed
WO-2009148541-A1 PIP-2 INHIBITION-BASED ANTIVIRAL AND ANTI-HYPERLIPIDEMIC THERAPIES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-12-10 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 (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-20180170924-A1 PI-KINASE INHIBITORS WITH ANTI-INFECTIVE ACTIVITY PIP4K2A, PIP5K1A, PIP4K2C CYP3A4 2448/4885CYP2D6 3606/4885CYP2C19 4754/4885
US-10428060-B2 PI-kinase inhibitors with anti-infective activity PIP4K2A, PIP5K1A, PIP4K2C CYP3A4 2448/4885CYP2D6 3606/4885CYP2C19 4754/4885

“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.