SCHEMBL19090128

SCHEMBL19090128

COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)CC[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FKBP1A P62942 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PEPD P12955 1/20 0.33
KLK5 Q9Y337 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
SCN5A Q14524 1/20 0.31
SCN3A Q9NY46 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
SCHEMBL15447605 0.86 CTSK (0.43) CTSKMEN1KMT2AALDH1A1MAPT
SCHEMBL19479525 0.86 CTSK (0.43) CTSKMEN1KMT2AALDH1A1MAPT
SCHEMBL4845470 0.75 FKBP1A (0.45) CTSKMEN1KMT2AALDH1A1MAPT
SCHEMBL15443470 0.73 CTSK (0.42) CTSKMEN1KMT2AALDH1A1MAPT
SCHEMBL18562067 0.73 CTSK (0.42) CTSKMEN1KMT2AALDH1A1MAPT
SCHEMBL9386894 0.73 HSD17B10 (0.50) CTSKMEN1KMT2AALDH1A1MAPT
SCHEMBL6509973 0.73 HSD17B10 (0.50) CTSKMEN1KMT2AALDH1A1MAPT
SCHEMBL1330352 0.73 HSD17B10 (0.50) CTSKMEN1KMT2AALDH1A1MAPT
SCHEMBL20858143 0.72 FKBP1A (0.39) CTSKMEN1KMT2AALDH1A1MAPT
SCHEMBL20858218 0.72 CTSK (0.41) CTSKMEN1KMT2AALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-RE47334-E1 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
US-9873716-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2017-07-06 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 (2 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-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS CTSK 1762/4885MEN1 3498/4885KMT2A 3798/4885
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS CTSK 1762/4885MEN1 3498/4885KMT2A 3798/4885

“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.