Sugi Predict

Sugi Predict / Compounds / SCHEMBL2789282

SCHEMBL2789282

SCHEMBL2789282

C#C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.46
▸ RECQL P46063 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ PREP P48147 2/20 0.42
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 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
SCHEMBL5553211 1.00 MEN1 (0.58) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL192227 1.00 MEN1 (0.58) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL16041071 0.95 HPGD (0.55) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL1901176 0.91 HPGD (0.51) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL17761666 0.91 HPGD (0.51) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL22991886 0.91 HPGD (0.51) MEN1ALDH1A1MAPTKMT2AHPGD
Ammonia Solution, Strong SCHEMBL28699367 0.89 HPGD (0.50) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7885177 0.88 HPGD (0.48) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7885175 0.88 HPGD (0.48) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7853341 0.86 MEN1 (0.56) MEN1ALDH1A1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025081045-A9 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-12-26 — — WO disclosed
EP-4132908-A1 INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) Vertex Pharmaceuticals Incorporated (US) 2023-02-15 — — EP disclosed
US-11306070-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-19 — — US disclosed
US-20210317105-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-14 — — US disclosed
WO-2021203023-A1 INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 — — WO disclosed
US-20200361906-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-19 — — US disclosed
EP-3536319-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-09-11 — — EP disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 — — US disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 — — US disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 — — US disclosed
WO-2012058127-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2012-05-03 — — WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 — — WO disclosed
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 — — EP disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 — — US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 — — US disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 — — US disclosed
EP-1147093-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-10-24 — — EP disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 — — US disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 — — 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 MEN1 911/4885ALDH1A1 393/4885MAPT 4418/4885
US-20210317105-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 MEN1 685/4885ALDH1A1 4775/4885MAPT 449/4885
US-11306070-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof CDK12, CDK1, CDK13 MEN1 685/4885ALDH1A1 4775/4885MAPT 449/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 MEN1 911/4885ALDH1A1 393/4885MAPT 4418/4885
US-20200361906-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 MEN1 685/4885ALDH1A1 4775/4885MAPT 449/4885

“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.