Sugi Predict

Sugi Predict / Compounds / SCHEMBL614604

SCHEMBL614604

SCHEMBL614604

CCCC(O)C#Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP12 P39900 2/20 0.41
▸ APP P05067 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ AOC3 Q16853 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ PGK1 P00558 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ MMP15 P51511 1/20 0.37
▸ MMP16 P51512 1/20 0.37

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
SCHEMBL12003637 0.91 MMP12 (0.43) KMT2AMMP2MMP9MMP12APP
SCHEMBL6744835 0.89 MMP2 (0.49) KMT2AMMP2MMP9MMP12APP
SCHEMBL9277673 0.87 MMP2 (0.51) KMT2AMMP2MMP9MMP12NPC1
SCHEMBL30669395 0.87 MMP2 (0.51) KMT2AMMP2MMP9MMP12NPC1
SCHEMBL2569114 0.84 LMNA (0.48) KMT2AMMP2MMP9MMP12APP
SCHEMBL28242719 0.81 APP (0.41) MMP2MMP9MMP12APPNPC1
SCHEMBL28242604 0.80 APP (0.44) MMP2MMP9MMP12APPNPC1
SCHEMBL2684779 0.79 FFAR1 (0.43) KMT2AAPPFFAR1ALDH1A1
SCHEMBL11555805 0.78 NPSR1 (0.39) MMP2NPC1RAB9ANPSR1ALDH1A1
SCHEMBL4857602 0.78 HTR2A (0.44) MMP2MMP9MMP12APPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 — — CN claimed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 — — CN claimed
US-4081468-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1978-03-28 — — US claimed
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 — — CN disclosed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 — — CN disclosed
US-11814462-B2 Functionalized cyclic polymers and methods of preparing same UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-14 — — US disclosed
US-20220056167-A1 Functionalized Cyclic Polymers and Methods of Preparing Same NATIONAL SCIENCE FOUNDATION 2022-02-24 — — US disclosed
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 — — US disclosed
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 — — US disclosed
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY 2021-02-25 — — US disclosed
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY 2021-02-25 — — US disclosed
EP-2405757-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-01-18 — — EP disclosed
WO-2011005806-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2011-01-13 — — WO disclosed
WO-2010104837-A1 FUNCTIONALIZED 4-AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2010-09-16 — — WO disclosed
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2009-03-12 — — US disclosed
US-4179561-A REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE E. R. SQUIBB & SONS, INC. (US) 1979-12-18 — — US disclosed
US-4112096-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 — — US disclosed
US-4111917-A POLYURETHANES W. R. GRACE & CO. (US) 1978-09-05 — — US disclosed
US-4081468-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1978-03-28 — — US disclosed
US-4076818-A ANTIALLERGENS E. R. SQUIBB & SONS, INC. (US) 1978-02-28 — — 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 (3 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-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX KMT2A 2539/4885MMP2 2914/4885MMP9 2637/4885
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX KMT2A 2539/4885MMP2 2914/4885MMP9 2637/4885
US-20090069569-A1 CYCLOADDITION OF AZIDES AND ALKYNES PF4, AFF4, FLI1 KMT2A 2643/4885MMP2 4756/4885MMP9 4730/4885

“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.