Sugi Predict

Sugi Predict / Compounds / SCHEMBL375218

SCHEMBL375218

SCHEMBL375218

CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CPB2 Q96IY4 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ GAA P10253 1/20 0.30

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
SCHEMBL6051013 1.00 KMT2A (0.38) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL1433455 1.00 KMT2A (0.38) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL5527908 0.86 MEN1 (0.38) KMT2AMEN1MAPK1CYP2C9EPHX1
SCHEMBL19388187 0.83 KMT2A (0.37) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL8200484 0.83 KMT2A (0.39) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL5427004 0.83 KMT2A (0.39) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL2630591 0.82 KMT2A (0.40) KMT2AALDH1A1MEN1TSHRMAPK1
SCHEMBL3645354 0.81 KMT2A (0.39) KMT2AALDH1A1MEN1MAPK1EPHX1
SCHEMBL1635700 0.81 KMT2A (0.39) KMT2AALDH1A1MEN1MAPK1EPHX1
SCHEMBL15125116 0.81 KMT2A (0.39) KMT2AALDH1A1MEN1MAPK1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 — — US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 — — US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 — — US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 — — US disclosed
EP-2049474-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-11-04 — — EP disclosed
EP-2265606-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-10-21 — — EP disclosed
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 — — EP disclosed
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 — — EP disclosed
US-20050267040-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 — — US disclosed
US-20050187165-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-25 — — US disclosed
US-20050143316-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 — — US disclosed
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 — — US disclosed
US-6869964-B2 Heterocyclicsulfonamide hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-22 — — US disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — US disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 — — WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 — — US disclosed
US-20040072761-A1 Heterocyclicsulfonamide hepatitis C virus inhibitors CAMPBELL JEFFREY ALLEN (US) 2004-04-15 — — US disclosed
US-20040048802-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-11 — — 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 (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-20040072761-A1 Heterocyclicsulfonamide hepatitis C virus inhibitors HCCS, ANPEP, DNPEP KMT2A 4022/4885ALDH1A1 3801/4885MEN1 4196/4885
US-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 KMT2A 4052/4885ALDH1A1 769/4885MEN1 4820/4885
US-20050143316-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, CTRB1 KMT2A 4052/4885ALDH1A1 769/4885MEN1 4820/4885
US-20050187165-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RRP1B KMT2A 3910/4885ALDH1A1 871/4885MEN1 4851/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 KMT2A 4220/4885ALDH1A1 512/4885MEN1 4817/4885
US-20040048802-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP KMT2A 4483/4885ALDH1A1 3255/4885MEN1 4575/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP KMT2A 4708/4885ALDH1A1 2672/4885MEN1 4174/4885
US-20050267040-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, CTRB1 KMT2A 3810/4885ALDH1A1 765/4885MEN1 4837/4885

“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.