SCHEMBL19969158

SCHEMBL19969158

CN(C(=O)C(Cc1ccccc1)NC(=O)CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc2scnc2c1)c1ccc2scnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
JAK3 P52333 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
PDE10A Q9Y233 2/20 0.37
KDR P35968 1/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CLK1 P49759 2/20 0.35
CLK2 P49760 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
DYRK4 Q9NR20 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
DYRK3 O43781 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
SCHEMBL18180279 1.00 PYGL (0.38) PYGLKDM1AMAOAMMP9MMP8
SCHEMBL19962039 0.93 PYGL (0.41) PYGLKDM1AMAOAMMP9MMP8
SCHEMBL16669778 0.86 MMP9 (0.42) PYGLKDM1AMAOAMMP9MMP8
SCHEMBL18179970 0.86 MMP3 (0.37) PYGLKDM1AMAOAMMP9MMP8
SCHEMBL19969227 0.86 MMP3 (0.37) PYGLKDM1AMAOAMMP9MMP8
SCHEMBL18180172 0.82 ALDH1A1 (0.46) PYGLALDH1A1
SCHEMBL18180219 0.82 ALDH1A1 (0.46) PYGLALDH1A1
SCHEMBL19962011 0.81 PYGL (0.39) PYGLKDM1AMAOAMMP9MMP8
SCHEMBL18179985 0.81 FPR2 (0.40) PYGLKDM1AMAOAMMP9PDE10A
SCHEMBL19969348 0.81 FPR2 (0.40) PYGLKDM1AMAOAMMP9PDE10A

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E PYGL 498/4885KDM1A 3466/4885MAOA 2436/4885

“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.