SCHEMBL532450

SCHEMBL532450

OCC(O)COC(CO)CS

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.32
NR1I2 O75469 1/20 0.31
CYP1A2 P05177 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL918799 0.91 LMNA (0.48) LMNAALDH1A1NR1I2CYP1A2HTT
Trifluoroacetic Acid SCHEMBL1122029 0.85 LMNA (0.35) LMNA
SCHEMBL882914 0.85 LMNA (0.44) LMNAALDH1A1USP2CYP1A2THRB
SCHEMBL7277164 0.85 LMNA (0.42) LMNAALDH1A1USP2
SCHEMBL14478629 0.78 LMNA (0.38) LMNAALDH1A1USP2CYP1A2THRB
SCHEMBL16134391 0.78 USP2 (0.42) LMNAALDH1A1USP2CYP1A2THRB
SCHEMBL14481872 0.78 LMNA (0.38) LMNAALDH1A1USP2CYP1A2THRB
SCHEMBL12386550 0.76 LMNA (0.39) LMNAALDH1A1TDP1THRB
SCHEMBL3334101 0.76 USP2 (0.45) LMNAALDH1A1USP2THRB
SCHEMBL13083028 0.76 USP2 (0.41) LMNAALDH1A1USP2CYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326029-B1 Antibiotic A 42867 derivative LEPETIT SPA (IT) 1994-09-21 EP claimed
US-4908351-A Pseudoaglycon MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-13 US claimed
EP-0177882-B1 ANTIBIOTIC A 40926 COMPLEX AND ITS PURE FACTORS PA, PB, A, B AND BO GRUPPO LEPETIT S.p.A. (IT) 1990-01-03 EP claimed
EP-0326029-A2 Antibiotic A 42867 derivative GRUPPO LEPETIT S.p.A. (IT) 1989-08-02 EP claimed
US-10294262-B2 7-deazapurine nucleosides for therapeutic uses INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-05-21 US disclosed
US-20170240584-A1 NOVEL 7-DEAZAPURINE NUCLEOSIDES FOR THERAPEUTIC USES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR,V.V.I. (CZ) 2017-08-24 US disclosed
US-9624257-B2 7-deazapurine nucleosides for therapeutic uses INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ASCR, V.V.I. (CZ) 2017-04-18 US disclosed
US-20160318970-A1 NOVEL 7-DEAZAPURINE NUCLEOSIDES FOR THERAPEUTIC USES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ASCR, V.V.I. (CZ) 2016-11-03 US disclosed
EP-2415776-B1 Beta-L-2'-Deoxy-Nucleosides for the Treatment of Hepatitis B NOVARTIS AG (CH) 2016-05-25 EP disclosed
US-9321800-B2 7-deazapurine nucleosides for therapeutic uses GILEAD SCIENCES, INC. (US) 2016-04-26 US disclosed
US-9290533-B2 β-L-2′-deoxy-nucleosides for the treatment of hepatitis B NOVARTIS AG (CH) 2016-03-22 US disclosed
US-20150218201-A1 NOVEL 7-DEAZAPURINE NUCLEOSIDES FOR THERAPEUTIC USES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2015-08-06 US disclosed
EP-0463393-A2 A mutant of bacillus subtiles and a method of producing surfactin with the use of the mutant ENIRICERCHE S.p.A. (IT) 1992-01-02 EP disclosed
WO-1991002735-A1 CHEMICAL COMPOUNDS BASED ON A NETROPSIN OR DISTAMYCIN MOLECULE COUPLED WITH AN INTERCALATING AGENT, METHOD FOR PREPARING SAID COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1991-03-07 WO disclosed
US-4978757-A BACTERICIDES, ANTITUMOR AGENTS, UV RAD ABSORBERS THE UPJOHN COMPANY (US) 1990-12-18 US disclosed
US-4912227-A 1,2,8,8A-tetrahydrocyclopropa(c)pyrrolo(3,2-e)-indol-4-(5H)-ones and related compounds THE UPJOHN COMPANY (US) 1990-03-27 US disclosed
US-4908351-A Pseudoaglycon MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-13 US disclosed
EP-0326029-A2 Antibiotic A 42867 derivative GRUPPO LEPETIT S.p.A. (IT) 1989-08-02 EP disclosed
EP-0306645-A2 Teicoplanin-like derivatives GRUPPO LEPETIT S.P.A. (IT) 1989-03-15 EP disclosed
EP-0246975-A1 Immuno-suppressive compounds, their preparation by cultivating streptomyces sp. (cbs 162.86) and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1987-11-25 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-20150218201-A1 NOVEL 7-DEAZAPURINE NUCLEOSIDES FOR THERAPEUTIC USES TPMT, TYMP, ENTPD5 LMNA 3934/4885ALDH1A1 377/4885USP2 4235/4885
US-10294262-B2 7-deazapurine nucleosides for therapeutic uses TPMT, TYMP, ENTPD5 LMNA 3601/4885ALDH1A1 368/4885USP2 4529/4885
US-20160318970-A1 NOVEL 7-DEAZAPURINE NUCLEOSIDES FOR THERAPEUTIC USES TPMT, TYMP, ENTPD5 LMNA 3961/4885ALDH1A1 381/4885USP2 4213/4885
US-20170240584-A1 NOVEL 7-DEAZAPURINE NUCLEOSIDES FOR THERAPEUTIC USES TPMT, TYMP, ENTPD5 LMNA 3934/4885ALDH1A1 377/4885USP2 4235/4885

“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.