Sugi Predict

Sugi Predict / Compounds / SCHEMBL793986

SCHEMBL793986

SCHEMBL793986

C=C(C)COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.48
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GRM5 P41594 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AGXT P21549 1/20 0.40
▸ NAAA Q02083 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL1228881 0.88 PTGS1 (0.56) ALDH1A1MAPTMAOBL3MBTL1LMNA
SCHEMBL19850432 0.85 FNTA (0.46) TSHRALDH1A1CA1CA2CA7
SCHEMBL11145254 0.85 TSHR (0.71) TSHRALDH1A1CA1CA2CA7
SCHEMBL6374940 0.84 NPC1 (0.44) TSHRALDH1A1NPC1MAPTPOLB
SCHEMBL29346470 0.83 TSHR (0.61) TSHRALDH1A1CA1CA2CA7
SCHEMBL5450319 0.83 TSHR (0.61) TSHRALDH1A1CA1CA2CA7
SCHEMBL16594924 0.80 TSHR (0.52) TSHRALDH1A1CA1CA2CA7
SCHEMBL29344326 0.80 TSHR (0.52) TSHRALDH1A1CA1CA2CA7
SCHEMBL10659309 0.80 ALDH1A1 (0.39) TSHRALDH1A1NPC1MAPTKDM4E
SCHEMBL1109806 0.80 TSHR (0.52) TSHRALDH1A1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035061-A1 PROCESS FOR THE PREPARATION OF 1,2-DIAMINES BY INTERMOLECULAR TRANSFER OF TWO NITROGEN GROUPS ONTO ALKENES AND INTERMEDIATES THEREOF INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2012-03-22 — — WO claimed
EP-4029870-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2022-07-20 — — EP disclosed
CN-110003253-B Tricyclic benzoxaborole compounds and uses thereof 葛兰素史克知识产权第二有限公司 2022-03-18 — — CN disclosed
EP-3030519-B1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-01-05 — — EP disclosed
EP-3030519-B1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-01-05 — — EP disclosed
US-11214582-B2 4-substituted benzoxaborole compounds and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-01-04 — — US disclosed
US-11214582-B2 4-substituted benzoxaborole compounds and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-01-04 — — US disclosed
EP-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 — — EP disclosed
US-10988459-B2 Bicyclic lactams and methods of use thereof GENENTECH, INC. (US) 2021-04-27 — — US disclosed
US-20210053996-A1 4-Substituted Benzoxaborole Compounds and Uses Thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-25 — — US disclosed
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 — — US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 — — US disclosed
WO-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 — — WO disclosed
WO-2012035061-A1 PROCESS FOR THE PREPARATION OF 1,2-DIAMINES BY INTERMOLECULAR TRANSFER OF TWO NITROGEN GROUPS ONTO ALKENES AND INTERMEDIATES THEREOF INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2012-03-22 — — WO disclosed
EP-1390340-A4 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2007-07-25 — — EP disclosed
EP-1390340-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-25 — — EP disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 — — WO disclosed
EP-0229384-B1 Beta-lactam compounds and their production SUMITOMO PHARMA (JP) 1994-08-10 — — EP disclosed
US-5134231-A Chemical intermediates for 1-alkylcarbapenem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-28 — — US disclosed
EP-0229384-A2 Beta-lactam compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-07-22 — — EP 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 (4 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-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY TBCA, TBCB, BTD TSHR 2173/4885ALDH1A1 4409/4885CA1 4447/4885
US-10988459-B2 Bicyclic lactams and methods of use thereof LSS, LPXN, CYP1B1 TSHR 3154/4885ALDH1A1 1195/4885CA1 2491/4885
US-20210053996-A1 4-Substituted Benzoxaborole Compounds and Uses Thereof BRI3BP, CBR3, CYCS TSHR 2375/4885ALDH1A1 3139/4885CA1 3447/4885
US-11214582-B2 4-substituted benzoxaborole compounds and uses thereof BRI3BP, CBR3, CYCS TSHR 2375/4885ALDH1A1 3139/4885CA1 3447/4885

“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.