Sugi Predict

Sugi Predict / Compounds / SCHEMBL12438201

SCHEMBL12438201

SCHEMBL12438201

CC(C)C(=O)c1ccccc1OC(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ IRAK4 Q9NWZ3 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.46
▸ HTT P42858 6/20 0.46
▸ LMNA P02545 6/20 0.46
▸ ALPL P05186 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ CYP11B1 P15538 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41

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
SCHEMBL16674268 0.85 IRAK4 (0.68) IRAK4ALDH1A1LMNATDP1KMT2A
SCHEMBL31468346 0.82 SMN1; SMN2 (0.45) SMN1; SMN2IRAK4ALDH1A1HTTLMNA
SCHEMBL3366337 0.82 HTT (0.45) SMN1; SMN2IRAK4ALDH1A1HTTLMNA
SCHEMBL27860086 0.82 HPGD (0.50) SMN1; SMN2ALDH1A1HTTGAANPC1
SCHEMBL1286684 0.81 IRAK4 (0.53) SMN1; SMN2IRAK4ALDH1A1HTTLMNA
SCHEMBL11212937 0.81 HTT (0.49) SMN1; SMN2IRAK4ALDH1A1HTTLMNA
SCHEMBL27586431 0.81 IRAK4 (0.49) IRAK4ALDH1A1HTTTDP1KMT2A
SCHEMBL31318924 0.79 CTSD (0.55) SMN1; SMN2ALDH1A1HTTNPC1RAB9A
SCHEMBL4303504 0.79 CTSD (0.55) SMN1; SMN2ALDH1A1HTTNPC1RAB9A
SCHEMBL975946 0.79 KDM4E (0.55) SMN1; SMN2ALDH1A1HTTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938276-B2 6,5-bicyclic octahydropyrrolopyridine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-04-10 — — US disclosed
US-9938276-B2 6,5-bicyclic octahydropyrrolopyridine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-04-10 — — US disclosed
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 — — US disclosed
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 — — 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-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 — — US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 — — US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 — — US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 — — US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 — — US disclosed
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS GENESOFT PHARMACEUTICALS, INC. (US) 2011-07-21 — — US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 — — US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 — — 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 (8 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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals IRF3, BCL3, L3MBTL3 SMN1; SMN2 2457/4885IRAK4 3984/4885ALDH1A1 3117/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4705/4885IRAK4 4214/4885ALDH1A1 3966/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4705/4885IRAK4 4214/4885ALDH1A1 3966/4885
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R SMN1; SMN2 2618/4885IRAK4 1611/4885ALDH1A1 2028/4885
US-20110178074-A1 ANTIPATHOGENIC BENZAMIDE COMPOUNDS CASP3, BCL3, ME3 SMN1; SMN2 3455/4885IRAK4 2838/4885ALDH1A1 1365/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4705/4885IRAK4 4214/4885ALDH1A1 3966/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4705/4885IRAK4 4214/4885ALDH1A1 3966/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4657/4885IRAK4 3580/4885ALDH1A1 3872/4885

“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.