SCHEMBL18057239

SCHEMBL18057239

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)c1ccc(F)cc1F)c1ccc2sccc2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
NRP1 O14786 1/20 0.35
PYGL P06737 2/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR2 P41597 3/20 0.31
LMNA P02545 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31

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
SCHEMBL18057235 0.93 PYGL (0.33) KCNH2PYGLMAPTPER2CRY1
SCHEMBL18057233 0.92 PYGL (0.35) PYGLMAPTLMNAPER2CRY1
SCHEMBL18057246 0.88 MMP2 (0.38) PYGLPER2CRY1CRY2
SCHEMBL18057237 0.87 PER2 (0.35) PYGLPER2CRY1CRY2
SCHEMBL16669968 0.85 KCNH2 (0.33) KCNH2NRP1PYGLMAPTGAA
SCHEMBL16669969 0.85 KCNH2 (0.33) KCNH2NRP1PYGLMAPTGAA
SCHEMBL19999761 0.84 PYGL (0.34) PYGLPER2CRY1CRY2
SCHEMBL19999758 0.82 PYGL (0.36) PYGLMAPTLMNAPER2CRY1
SCHEMBL19999763 0.82 PYGL (0.37) PYGLPER2CRY1CRY2
SCHEMBL19999769 0.81 OPRD1 (0.34) PYGLPER2CRY1CRY2

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-10035760-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2018-07-31 US disclosed
US-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2016-09-08 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-20160257645-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR1E, POLR1G KCNH2 4596/4885NRP1 4176/4885PYGL 641/4885
US-10035760-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR1G, POLR1E KCNH2 4630/4885NRP1 4199/4885PYGL 626/4885

“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.