SCHEMBL19797963

SCHEMBL19797963

CC(C)(NC(=O)OCc1ccccc1)OC=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CTSS P25774 1/20 0.47
LMNA P02545 2/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SYK P43405 1/20 0.44
MIF P14174 1/20 0.44

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
SCHEMBL567435 0.82 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4508484 0.81 MEN1 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4442846 0.81 KMT2A (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10885861 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL20382395 0.80 KMT2A (0.62) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10350695 0.79 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4707157 0.79 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9766243 0.79 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL19797962 0.79 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16595726 0.79 CTSS (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-01-25 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-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 MEN1 4868/4885KMT2A 4692/4885SMN1; SMN2 4111/4885

“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.