SCHEMBL19969104

SCHEMBL19969104

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(S(=O)(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N(C)c2ccc3scnc3c2)ccc1F)c1ccc2scnc2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
F2 P00734 9/20 0.33
PSMB5 P28074 2/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
PRSS1 P07477 1/20 0.31
PSMB8 P28062 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
SCHEMBL19962027 0.94 KMT2A (0.33) KMT2AF2
SCHEMBL18180358 0.88 ALDH1A1 (0.41) KMT2AF2MAPTMEN1
SCHEMBL18180421 0.88 ALDH1A1 (0.41) KMT2AF2MAPTMEN1
SCHEMBL18179904 0.87 TAS1R3 (0.38) KMT2APSMB5MEN1
SCHEMBL19969339 0.83 SYK (0.34)
SCHEMBL19962082 0.83 SYK (0.34)
SCHEMBL19962015 0.83 ALDH1A1 (0.37) KMT2AF2MAPTMEN1
SCHEMBL19962064 0.82 PIN1 (0.36) KMT2APSMB5MEN1
SCHEMBL19962152 0.82 PDE10A (0.34) KMT2AMAPTMEN1
SCHEMBL19969220 0.81 PDE10A (0.34)

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 KMT2A 3986/4885F2 3297/4885PSMB5 2506/4885

“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.