Sugi Predict

Sugi Predict / Compounds / SCHEMBL1767847

SCHEMBL1767847

SCHEMBL1767847

CC(C)(C)OC(=O)c1cc(O)cc(C(=O)O)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ EGFR P00533 1/20 0.37
▸ PTGS2 P35354 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ GRM6 O15303 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ CASP7 P55210 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MEN1 O00255 2/20 0.33

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
SCHEMBL6232764 0.87 SLC7A5 (0.40) KDM4EEGFRCA12CA1CA2
SCHEMBL7074918 0.87 KDM4E (0.56) KDM4ECA12CA1CA2CA9
SCHEMBL7071957 0.85 CYP3A4 (0.46) KDM4ECA12CA1CA2CA9
SCHEMBL7078434 0.85 HSD17B10 (0.42) KDM4ECA12CA1CA2CA9
SCHEMBL7075526 0.85 KEAP1 (0.42) KDM4EEGFRCA12CA1CA2
SCHEMBL26963250 0.80 KDM4E (0.50) KDM4EPTGS2CA12CA1CA2
SCHEMBL27996077 0.79 CA12 (0.42) KDM4EEGFRCA12CA1CA2
SCHEMBL16114294 0.79 GRM6 (0.40) KDM4EEGFRCA12CA1CA2
SCHEMBL29594182 0.79 KDM4E (0.39) KDM4EEGFRCA12CA1CA2
SCHEMBL222447 0.78 G6PD (0.50) KDM4EPTGS2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112114-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-12 — — US disclosed
EP-1066247-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMA (US) 2006-11-22 — — EP disclosed
US-20040077600-A1 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease TUNG ROGER D (US) 2004-04-22 — — US disclosed
US-6608067-B1 Treating hepatitis C viral infection VERTEX PHARMACEUTICALS INCORPORATED 2003-08-19 — — US disclosed
CN-1080720-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-03-13 — — CN disclosed
EP-1066247-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE Vertex Pharmaceuticals Incorporated (US) 2001-01-10 — — EP disclosed
WO-1999050230-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-10-07 — — WO disclosed
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 — — CN 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 (2 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-20040077600-A1 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease HPN, PRSS1, PRSS3 KDM4E 3387/4885EGFR 4440/4885PTGS2 2908/4885
US-20110112114-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 KDM4E 3387/4885EGFR 4440/4885PTGS2 2908/4885

“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.