SCHEMBL19969017

SCHEMBL19969017

Cc1cc(C(=O)N[C@H](C=O)Cc2cc(F)cc(F)c2)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N(C)c2ccc3scnc3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.36
BACE2 Q9Y5Z0 5/20 0.36
CTSD P07339 1/20 0.34
CTSL P07711 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
HSD11B1 P28845 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
SCHEMBL18180323 0.94 BACE1 (0.37) BACE1BACE2CTSDTAS1R3TAS1R1
SCHEMBL18179905 0.94 BACE1 (0.37) BACE1BACE2CTSDTAS1R3TAS1R1
SCHEMBL19969001 0.88 TAS1R3 (0.31) TAS1R3TAS1R1
SCHEMBL19962046 0.88 BACE1 (0.34) BACE1BACE2CTSDTAS1R3TAS1R1
SCHEMBL18180142 0.86 AURKA (0.39) BACE1BACE2TAS1R3TAS1R1
SCHEMBL18180233 0.86 AURKA (0.39) BACE1BACE2TAS1R3TAS1R1
SCHEMBL18179918 0.85 TAS1R3 (0.36) CTSLTAS1R3TAS1R1HSD11B1
SCHEMBL18180351 0.85 TAS1R3 (0.36) CTSLTAS1R3TAS1R1HSD11B1
SCHEMBL16670170 0.83 FFAR1 (0.34) TAS1R3TAS1R1HSD11B1
SCHEMBL18180300 0.82 NOS2 (0.36) TAS1R3TAS1R1HSD11B1

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 BACE1 3190/4885BACE2 3681/4885CTSD 3253/4885

“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.