SCHEMBL19969333

SCHEMBL19969333

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2c(cnn2C)c1)c1ccc2c(c1)ncn2C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1H O95180 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
SCHEMBL19962144 0.93 ALDH1A1 (0.36) ALDH1A1LMNAMAPTHTTGFER
SCHEMBL19962142 0.93 MAPK1 (0.35) MAPK1CACNA1H
SCHEMBL19962090 0.90 ALDH1A1 (0.33) ALDH1A1LMNAMAPTHTTGFER
SCHEMBL19962056 0.89 TRPV1 (0.35) MAPK1CACNA1H
SCHEMBL19969347 0.88 MAPK1 (0.33) MAPK1CACNA1H
SCHEMBL19962068 0.83 TRPV1 (0.35) CACNA1H
SCHEMBL19962072 0.79 ALDH1A1 (0.32) ALDH1A1MAPTHTT
SCHEMBL19962029 0.77 FOLH1 (0.34)
SCHEMBL19962137 0.76 CA12 (0.31)
SCHEMBL18180271 0.76 SYK (0.31)

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 ALDH1A1 2545/4885LMNA 3382/4885MAPT 1843/4885

“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.