SCHEMBL18171816

SCHEMBL18171816

CN(C(=O)C(Cc1cc(F)cc(F)c1)NC(=O)O)c1ccc2snnc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 2/20 0.43
GFER P55789 1/20 0.43
MCL1 Q07820 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
TP53 P04637 5/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35
PYGL P06737 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
SCHEMBL19962138 0.85 MAPT (0.40) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL16670170 0.85 FFAR1 (0.34) NPC1RAB9APYGL
SCHEMBL19962140 0.84 THRB (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19969111 0.84 THRB (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19969221 0.84 THRB (0.41) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL18180208 0.84 MAPT (0.42) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL18171829 0.84 TRPM5 (0.38) PYGL
SCHEMBL19962139 0.83 MAPT (0.36) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19969116 0.83 MAPT (0.38) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19969110 0.83 MAPT (0.38) MAPTMEN1KMT2ANPC1RAB9A

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
EP-3286174-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP 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 MAPT 1843/4885MEN1 4064/4885KMT2A 3986/4885

“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.