SCHEMBL19962142

SCHEMBL19962142

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(cnn2C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
CACNA1H O95180 5/20 0.35
MAOB P27338 3/20 0.33
NAMPT P43490 1/20 0.33
SCN9A Q15858 1/20 0.33
CACNA1G O43497 3/20 0.32
CACNA1I Q9P0X4 3/20 0.32
MAOA P21397 2/20 0.32
ACHE P22303 1/20 0.32
SMO Q99835 2/20 0.31
VNN1 O95497 1/20 0.31
ELANE P08246 1/20 0.31
QPCT Q16769 1/20 0.31
HTR2A P28223 2/20 0.31
HTR7 P34969 2/20 0.31
KCNH2 Q12809 1/20 0.31
LGMN Q99538 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
SCHEMBL19962056 0.94 TRPV1 (0.35) MAPK1CACNA1HMAOBNAMPTSCN9A
SCHEMBL19969347 0.94 MAPK1 (0.33) MAPK1CACNA1HMAOBNAMPTSCN9A
SCHEMBL19969333 0.93 ALDH1A1 (0.33) MAPK1CACNA1H
SCHEMBL19962068 0.86 TRPV1 (0.35) CACNA1HNAMPT
SCHEMBL19962144 0.83 ALDH1A1 (0.36)
SCHEMBL19969154 0.82 PSMB5 (0.35) MAOA
SCHEMBL19962156 0.82 PSMB5 (0.35) MAOA
SCHEMBL19962029 0.81 FOLH1 (0.34)
SCHEMBL19962090 0.81 ALDH1A1 (0.33)
SCHEMBL18180207 0.81 ITGA4 (0.41) CACNA1HSCN9A

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
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 MAPK1 2073/4885CACNA1H 4352/4885MAOB 1707/4885

“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.