Sugi Predict

Sugi Predict / Compounds / SCHEMBL16214711

SCHEMBL16214711

SCHEMBL16214711

C[C@@]1(C(=O)O)CCCC[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.42
▸ FFAR3 O14843 1/20 0.37
▸ PAX8 Q06710 1/20 0.36
▸ PTPN1 P18031 2/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ STAT6 P42226 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GMNN O75496 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BLM P54132 1/20 0.34

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
SCHEMBL16407822 1.00 F10 (0.42) F10FFAR3PAX8PTPN1MMP2
SCHEMBL16370028 1.00 F10 (0.42) F10FFAR3PAX8PTPN1MMP2
SCHEMBL16391274 1.00 F10 (0.42) F10FFAR3PAX8PTPN1MMP2
SCHEMBL1063286 1.00 F10 (0.42) F10FFAR3PAX8PTPN1MMP2
SCHEMBL16393772 1.00 F10 (0.42) F10FFAR3PAX8PTPN1MMP2
SCHEMBL16407824 1.00 F10 (0.42) F10FFAR3PAX8PTPN1MMP2
SCHEMBL16393546 1.00 F10 (0.42) F10FFAR3PAX8PTPN1MMP2
SCHEMBL16391409 1.00 F10 (0.42) F10FFAR3PAX8PTPN1MMP2
SCHEMBL16391410 0.93 F10 (0.43) F10FFAR3PAX8PTPN1MMP2
SCHEMBL15619079 0.93 F10 (0.43) F10FFAR3PAX8PTPN1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 — — EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
EP-3019196-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-18 — — EP disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 — — US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 — — US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 — — US disclosed
US-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2015-05-07 — — US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 — — US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 — — US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 — — US disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 — — WO disclosed
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 — — WO disclosed
US-8877975-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2014-11-04 — — US disclosed
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2010-07-29 — — US disclosed
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 — — 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 (6 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-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 F10 3133/4885FFAR3 1482/4885PAX8 4184/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 F10 3133/4885FFAR3 1482/4885PAX8 4184/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 F10 3133/4885FFAR3 1482/4885PAX8 4184/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 F10 4066/4885FFAR3 4180/4885PAX8 4547/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 F10 4066/4885FFAR3 4180/4885PAX8 4547/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS F10 4217/4885FFAR3 4255/4885PAX8 4446/4885

“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.