SCHEMBL18180367

SCHEMBL18180367

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)Cn1c(=O)n(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N(C)c2ccc3scnc3c2)c2ccccc21)c1ccc2scnc2c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.35
CMA1 P23946 4/20 0.35
PDE10A Q9Y233 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.33
PYGL P06737 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18179911 1.00 MMP2 (0.35) MMP2CMA1PDE10ANPC1GAA
SCHEMBL19962086 0.94 CMA1 (0.35) MMP2CMA1PDE10AMAOAPYGL
SCHEMBL19969008 0.85 PYGL (0.35) CMA1PDE10APYGL
SCHEMBL18180288 0.85 PYGL (0.35) CMA1PDE10APYGL
SCHEMBL19969114 0.85 NPY1R (0.35) CMA1PDE10APYGL
SCHEMBL19969220 0.84 PDE10A (0.34) PDE10ANPC1MAOAPYGL
SCHEMBL16670170 0.83 FFAR1 (0.34) PDE10ANPC1MAOAPYGL
SCHEMBL18180233 0.83 AURKA (0.39) PDE10ANPC1ALDH1A1PYGLMEN1
SCHEMBL18180142 0.83 AURKA (0.39) PDE10ANPC1ALDH1A1PYGLMEN1
SCHEMBL18180300 0.82 NOS2 (0.36) PDE10ANPC1PYGL

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E MMP2 1778/4885CMA1 2432/4885PDE10A 2805/4885

“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.