Sugi Predict

Sugi Predict / Compounds / SCHEMBL305819

SCHEMBL305819

SCHEMBL305819

O=C(NC(Cn1cccn1)C(=O)O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.48
▸ PPARA Q07869 3/20 0.47
▸ PPARG P37231 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ CTSL P07711 3/20 0.47
▸ CTSB P07858 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 4/20 0.46
▸ TACR1 P25103 2/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ ITGB7 P26010 1/20 0.46
▸ ATM Q13315 1/20 0.45

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
SCHEMBL305818 1.00 CASP1 (0.48) CASP1PPARAPPARGHRH1CTSL
SCHEMBL14879202 0.85 ATM (0.51) CTSLCTSBCTSSCTSKATM
SCHEMBL2401482 0.84 PPARA (0.47) CASP1PPARAPPARGHRH1CTSL
SCHEMBL8291523 0.83 CTSK (0.46) CASP1CTSLCTSBCTSSCTSK
SCHEMBL2397464 0.82 PPARA (0.47) PPARAPPARGHRH1CTSLCTSB
SCHEMBL7304716 0.81 CTSL (0.45) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10443741 0.80 ITGB3 (0.49) PPARAPPARGHRH1CTSLCTSB
SCHEMBL120638 0.80 MDM4 (0.67) —
SCHEMBL7284532 0.80 HRH4 (0.55) PPARAPPARGCTSSCTSKTACR1
SCHEMBL23138983 0.78 TSHR (0.52) —

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 200 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-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2006-06-08 — — US disclosed
EP-1663958-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 — — EP disclosed
WO-2006034004-A2 PROCESSES AND INTERMEDIATES FOR PREPARING CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-30 — — WO disclosed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 — — US disclosed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 — — EP disclosed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 — — US disclosed
WO-2005028429-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 — — WO disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 — — WO disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 — — US disclosed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 — — WO 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 (7 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 CASP1 3162/4885PPARA 2134/4885PPARG 2209/4885
US-20060122184-A1 Cyanomethyl derivatives as cysteine protease inhibitors CTSF, CTSB, CTSK CASP1 326/4885PPARA 4535/4885PPARG 4634/4885
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE CASP1 872/4885PPARA 2614/4885PPARG 3391/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB CASP1 255/4885PPARA 3674/4885PPARG 4037/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CASP1 3084/4885PPARA 1887/4885PPARG 1898/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CASP1 3084/4885PPARA 1887/4885PPARG 1898/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CASP1 360/4885PPARA 3070/4885PPARG 3563/4885

“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.