Sugi Predict

Sugi Predict / Compounds / SCHEMBL166737

SCHEMBL166737

SCHEMBL166737

C=CCOC(=O)OC=C.C=CCOC(=O)OCC=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ APBA1 Q02410 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ APP P05067 1/20 0.32
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ RHOA P61586 1/20 0.30

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
SCHEMBL278445 0.98 — —
SCHEMBL28770798 0.95 CYP3A4 (0.41) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9928 0.87 CYP3A4 (0.48) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL20573152 0.86 CYP3A4 (0.38) CYP3A4TSHRMAPTCACNA1BAPBA1
Hydrochloric Acid SCHEMBL6485439 0.85 CYP3A4 (0.46) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9551714 0.85 CYP3A4 (0.46) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL28554037 0.85 CYP3A4 (0.46) CYP3A4TSHRMAPTCACNA1BAPBA1
Ethylene SCHEMBL3010758 0.85 CYP3A4 (0.46) CYP3A4TSHRMAPTCACNA1BAPBA1
Ammonia Solution, Strong SCHEMBL1972381 0.85 CYP3A4 (0.46) CYP3A4TSHRMAPTCACNA1BAPBA1
Ethylene SCHEMBL9717606 0.85 CYP3A4 (0.46) CYP3A4TSHRMAPTCACNA1BAPBA1

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 1897 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 — — EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 — — EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 — — EP claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 — — US claimed
EP-3063164-B1 SYNTHETIC ROUTE TO 2'-DEOXY-2',2'-DIFLUOROTETRAHYDROURIDINES OTSUKA PHARMA CO LTD (JP) 2018-12-05 — — EP claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 — — EP claimed
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-31 — — US claimed
US-12037355-B2 Triterpene saponin analogues ADJUVANCE TECHNOLOGIES, INC. (US) 2024-07-16 — — US disclosed
WO-2024147060-A1 NOVEL IONIZABLE LIPID COMPOUNDS FOR NUCLEIC ACID DELIVERY CELON PHARMA S.A. (PL) 2024-07-11 — — WO disclosed
WO-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 — — WO disclosed
US-20240229026-A1 CHIRAL CONTROL WAVE LIFE SCIENCES LTD. (SG) 2024-07-11 — — US disclosed
EP-4396354-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF Wave Life Sciences Ltd. (SG) 2024-07-10 — — EP disclosed
EP-4398254-A2 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING Memorial Sloan Kettering Cancer Center (US) 2024-07-10 — — EP disclosed
WO-2006138380-A2 AMINE-CONTAINING LIPIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-12-28 — — WO disclosed
US-20060287520-A1 Synthesis of salinosporamide A and analogues thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-12-21 — — US disclosed
WO-2006124902-A2 SYNTHESIS OF SALINOSPORAMIDE A AND ANALOGUES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-11-23 — — WO disclosed
WO-2006113615-A2 ANTI-MICROBIAL AGENTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2006-10-26 — — WO disclosed
WO-2006102097-A2 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-28 — — WO disclosed
US-20050282787-A1 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2005-12-22 — — US disclosed
WO-2005112945-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-12-01 — — 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-20050282787-A1 Synthesis of tetracyclines and analogues thereof TET1, TET3, MYC CYP3A4 1517/4885TSHR 466/4885MAPT 990/4885
US-20240229026-A1 CHIRAL CONTROL RNGTT, POLI, NSUN3 CYP3A4 4157/4885TSHR 3259/4885MAPT 3098/4885
US-20150376201-A1 CORTISTATIN ANALOGUES AND SYNTHESES THEREOF CTTN, TEK, FLT1 CYP3A4 4796/4885TSHR 1777/4885MAPT 3439/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 CYP3A4 875/4885TSHR 3533/4885MAPT 265/4885
US-12037355-B2 Triterpene saponin analogues LSS, NFATC1, PGGT1B CYP3A4 724/4885TSHR 2653/4885MAPT 4290/4885
US-20060287520-A1 Synthesis of salinosporamide A and analogues thereof PSMB5, ERG28, PSMB11 CYP3A4 4089/4885TSHR 3572/4885MAPT 2407/4885

“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.