Sugi Predict

Sugi Predict / Compounds / SCHEMBL178749

SCHEMBL178749

SCHEMBL178749

COC(=O)/C(=C\c1cc(C)c(N)c(C)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MGLL Q99685 2/20 0.39
▸ FAAH O00519 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ MMP12 P39900 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL13756220 1.00 NPC1 (0.47) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL13030981 0.89 MAPT (0.39) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL13906649 0.85 CA12 (0.47) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL5893113 0.84 MEN1 (0.43) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL13409451 0.84 MGLL (0.42) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL2970566 0.84 BACE1 (0.41) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL2970563 0.84 BACE1 (0.41) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL2970560 0.84 BACE1 (0.41) NPC1RAB9AMEN1KMT2ACA12
SCHEMBL143636 0.82 NR1H4 (0.50) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL143637 0.82 NR1H4 (0.50) NPC1RAB9AMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS PFIZER IRELAND PHARMACEUTICALS (IE) 2022-12-22 — — US disclosed
WO-2021127070-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2021-06-24 — — WO disclosed
EP-2552906-B1 CGRP RECEPTOR ANTAGONIST BRISTOL MYERS SQUIBB CO (US) 2016-01-06 — — EP disclosed
US-8481546-B2 CGRP receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 — — US disclosed
US-20120059017-A1 CGRP Receptor Antagonist BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 — — US disclosed
WO-2011123232-A1 CGRP RECEPTOR ANTAGONIST BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 — — WO disclosed
US-7449586-B2 Processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 — — US disclosed
US-7449586-B2 Processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 — — 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-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS CALCA, CALCB, CALCRL NPC1 85/4885RAB9A 2622/4885MEN1 655/4885
US-20120059017-A1 CGRP Receptor Antagonist CALCRL, PTGIR, CALCR NPC1 1711/4885RAB9A 1992/4885MEN1 1576/4885

“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.