Sugi Predict

Sugi Predict / Compounds / SCHEMBL305326

SCHEMBL305326

SCHEMBL305326

CN(C)[C@H](C(=O)O)c1cnc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ CFTR P13569 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ KDR P35968 1/20 0.43
▸ ACP1 P24666 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ CSNK1G2 P78368 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ MAP4K5 Q9Y4K4 1/20 0.42

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
SCHEMBL304022 1.00 MGAM (0.50) MGAMRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL305325 1.00 MGAM (0.50) MGAMRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL890158 0.88 KDM4E (0.49) MGAMRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL13748064 0.87 KDM4E (0.48) MGAMRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL888730 0.86 KDM4E (0.47) MGAMRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL8908660 0.85 KDM4E (0.49) MGAMRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL12824208 0.85 RAB9A (0.46) MGAMRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL753885 0.82 CYP1A2 (0.47) MGAMRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL16892973 0.82 CYP1A2 (0.47) MGAMRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL19334009 0.80 TRPV1 (0.45) MGAMRAB9AKDM4ESMN1; SMN2NPC1

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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 — — EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 — — EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 — — EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 — — EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 — — EP disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 — — US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 — — US disclosed
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 — — WO disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 — — WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (9 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL MGAM 3548/4885RAB9A 2545/4885KDM4E 3740/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MGAM 3627/4885RAB9A 2463/4885KDM4E 3857/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS MGAM 3627/4885RAB9A 2463/4885KDM4E 3857/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS MGAM 3627/4885RAB9A 2463/4885KDM4E 3857/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MGAM 3627/4885RAB9A 2463/4885KDM4E 3857/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS MGAM 3627/4885RAB9A 2463/4885KDM4E 3857/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MGAM 3627/4885RAB9A 2463/4885KDM4E 3857/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MGAM 3627/4885RAB9A 2463/4885KDM4E 3857/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MGAM 3627/4885RAB9A 2463/4885KDM4E 3857/4885

“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.