Sugi Predict

Sugi Predict / Compounds / SCHEMBL933756

SCHEMBL933756

SCHEMBL933756

CC(C)(C)OC(=O)Nc1cncc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ NAMPT P43490 2/20 0.50
▸ HCAR2 Q8TDS4 4/20 0.45
▸ CYP17A1 P05093 3/20 0.44
▸ ALPL P05186 3/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ DDO Q99489 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL31145182 1.00 KDM4E (0.57) KDM4EALDH1A1NAMPTHCAR2CYP17A1
SCHEMBL12174559 0.88 NAMPT (0.50) KDM4EALDH1A1NAMPTCYP17A1BCL2
SCHEMBL14428036 0.87 NAMPT (0.54) NAMPTCYP17A1HDAC3HDAC1HDAC2
SCHEMBL31145167 0.87 ATM (0.51) KDM4EALDH1A1NAMPTCYP17A1ALPL
SCHEMBL7822474 0.87 ATM (0.51) KDM4EALDH1A1NAMPTCYP17A1ALPL
SCHEMBL29467524 0.84 NAMPT (0.47) KDM4EALDH1A1NAMPTCYP17A1BCL2
SCHEMBL22670446 0.84 NAMPT (0.47) KDM4EALDH1A1NAMPTCYP17A1BCL2
SCHEMBL29872485 0.84 NAMPT (0.47) KDM4EALDH1A1NAMPTCYP17A1ALPL
SCHEMBL31226419 0.83 NAMPT (0.46) KDM4EALDH1A1NAMPTCYP17A1BCL2
SCHEMBL6232755 0.82 MEN1 (0.49) KDM4ENAMPTCYP17A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 — — US disclosed
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 — — CN disclosed
US-20220127256-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2022-04-28 — — US disclosed
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 — — US disclosed
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 — — US disclosed
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 — — US disclosed
CN-103068817-B Disubstituted tetrahydrofuranyl compounds as bradykinin B1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-29 — — CN disclosed
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 — — EP disclosed
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 — — EP disclosed
US-20120208823-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 — — US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 — — EP disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 — — US disclosed
EP-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 — — EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 — — US disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 — — EP disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 — — US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 — — US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 — — EP disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 — — EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 — — 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 (6 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 KDM4E 3000/4885ALDH1A1 729/4885NAMPT 699/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 KDM4E 3000/4885ALDH1A1 729/4885NAMPT 699/4885
US-20120208823-A1 New Compounds ABCG2, SDHA, UGT2B7 KDM4E 3647/4885ALDH1A1 566/4885NAMPT 786/4885
US-20220127256-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 KDM4E 3895/4885ALDH1A1 128/4885NAMPT 1439/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 KDM4E 950/4885ALDH1A1 231/4885NAMPT 2165/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 KDM4E 3895/4885ALDH1A1 128/4885NAMPT 1439/4885

“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.