Sugi Predict

Sugi Predict / Compounds / SCHEMBL509479

SCHEMBL509479

SCHEMBL509479

CCOC(=O)c1cncc(C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ LMNA P02545 1/20 0.47
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA7 P43166 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ CA14 Q9ULX7 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL24628901 0.84 CYP2C19 (0.62) CYP2C9CYP2C19LMNACA12CA1
SCHEMBL30963866 0.84 CYP2C19 (0.62) CYP2C9CYP2C19LMNACA12CA1
SCHEMBL277284 0.83 CYP2C19 (0.86) CYP2C9CYP2C19LMNACA12CA1
SCHEMBL1413482 0.82 ATM (0.59) CYP2C9CYP2C19LMNACYP11B1CYP11B2
Hydrochloric Acid SCHEMBL9679507 0.81 CYP2C19 (0.83) CYP2C9CYP2C19LMNACA12CA1
SCHEMBL7939524 0.81 CYP2C9 (0.51) CYP2C9CYP2C19LMNACYP11B1CYP11B2
SCHEMBL1477261 0.81 CYP2C19 (0.57) CYP2C9CYP2C19LMNACA12CA1
SCHEMBL26682935 0.81 CYP2C19 (0.57) CYP2C9CYP2C19LMNACA12CA1
SCHEMBL7927035 0.80 CYP2C9 (0.50) CYP2C9CYP2C19LMNACYP11B1CYP11B2
SCHEMBL834845 0.80 CYP2C9 (0.60) CYP2C9CYP2C19LMNAHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801610-B New-type wide-spectrum beta-lactamase inhibitor 武汉维舜医药科技有限公司 2018-05-18 — — CN disclosed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 — — EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 — — US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 — — US disclosed
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 — — US disclosed
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 — — US disclosed
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 — — US disclosed
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 — — US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 — — EP disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 — — US disclosed
US-20050171355-A1 Pyridine derivative production method SANKIO CHEMICAL CO., LTD. 2005-08-04 — — US disclosed
EP-1559711-A1 PREPARATION OF PYRIDINE DERIVATIVES USING PYRIMIDINIUM DERIVATIVES AS INTERMEDIATES Sankio Chemical Co., Ltd. (JP) 2005-08-03 — — EP disclosed
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 — — EP disclosed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 — — US disclosed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 — — EP disclosed
EP-1373264-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2004-01-02 — — EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 — — US disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 — — US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 — — WO disclosed
WO-2002079200-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-10-10 — — 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 (5 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 CYP2C9 511/4885CYP2C19 356/4885LMNA 3796/4885
US-20050171355-A1 Pyridine derivative production method CPS1, NAT1, ACMSD CYP2C9 388/4885CYP2C19 412/4885LMNA 4079/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD CYP2C9 380/4885CYP2C19 235/4885LMNA 3976/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CYP2C9 248/4885CYP2C19 186/4885LMNA 3857/4885
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 CYP2C9 22/4885CYP2C19 38/4885LMNA 1661/4885

“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.