SCHEMBL844708

SCHEMBL844708

CC(C)(C)SCCOC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PRKCA P17252 1/20 0.37
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL20414057 0.82 PRKCA (0.44) POLBGAANPSR1PRKCA
SCHEMBL19523497 0.80 ALDH1A1 (0.43) GAAHTR1ADRD2HTR2AHTR7
SCHEMBL6314938 0.80 GAA (0.41) POLBGAANPSR1PRKCANPC1
SCHEMBL25456607 0.79 PRKCA (0.39) POLBGAANPSR1PRKCA
SCHEMBL4698870 0.78 LMNA (0.43) HTR1ADRD2HTR2AHTR7NPC1
SCHEMBL18665330 0.78 POLB (0.40) POLBGAANPSR1PRKCA
SCHEMBL4258156 0.78 POLB (0.48) POLBGAANPSR1PRKCANPC1
SCHEMBL863336 0.77 NAAA (0.45) GAAHTR1ADRD2HTR2AHTR7
SCHEMBL17451509 0.75 PRKCA (0.43) POLBGAANPSR1PRKCA
SCHEMBL16272977 0.75 HTR1A (0.31) HTR1ADRD2HTR2AHTR7NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024494-A1 SMALL-MOLECULE CONJUGATE AND USE THEREOF ANHUI CHINA RESOURCES JINCHAN PHARMACEUTICAL CO., LTD. (CN) 2024-01-25 — — US disclosed
US-8299266-B2 Processes for making epothilone compounds and analogs BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-30 — — US disclosed
US-20120178941-A1 PROCESSES FOR MAKING EPOTHILONE COMPOUNDS AND ANALOGS BRISTOL-MYERS SQUIBB COMPANY 2012-07-12 — — US disclosed
US-8143415-B2 Processes for making epothilone compounds and analogs BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-RE42930-E1 Aziridinyl-epothilone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-15 — — US disclosed
US-7872145-B2 7,11-dihydroxy-17-(2-hydroxyethyl)-8,8,10,12-tetramethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4-oxa-17-azabicyclo[14.1.0]heptadecane-5,9-dione; anticarcinogenic agent; antiproliferative agent; low toxicity ( side effects reduction) Bristol-Mysers Squibb Company (US) 2011-01-18 — — US disclosed
US-20100324302-A1 PROCESSES FOR MAKING EPOTHILONE COMPOUNDS AND ANALOGS BRISTOL-MYERS SQUIBB COMPANY 2010-12-23 — — US disclosed
US-20070276018-A1 AZIRIDINYL-EPOTHILONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-29 — — US disclosed
US-20070275904-A1 CONJUGATES OF AZIRIDINYL-EPOTHILONE ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-29 — — 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 (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-20070276018-A1 AZIRIDINYL-EPOTHILONE COMPOUNDS CBR3, CBR1, NR0B1 POLB 3616/4885GAA 4767/4885NPSR1 68/4885
US-20100324302-A1 PROCESSES FOR MAKING EPOTHILONE COMPOUNDS AND ANALOGS DHPS, EPOR, SQLE POLB 965/4885GAA 2300/4885NPSR1 1661/4885
US-20070275904-A1 CONJUGATES OF AZIRIDINYL-EPOTHILONE ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME FOLR1, FOLR2, DHFR POLB 3176/4885GAA 2529/4885NPSR1 212/4885
US-20120178941-A1 PROCESSES FOR MAKING EPOTHILONE COMPOUNDS AND ANALOGS EPOR, PYCR1, AZI2 POLB 2566/4885GAA 3651/4885NPSR1 2227/4885
US-20240024494-A1 SMALL-MOLECULE CONJUGATE AND USE THEREOF SLC7A5, SLC43A1, CD44 POLB 3003/4885GAA 385/4885NPSR1 1185/4885

“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.

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