SCHEMBL863336

SCHEMBL863336

CCC(=O)OCCSC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.45
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ HTT P42858 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ WRN Q14191 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ DGKA P23743 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL25923066 0.82 NAAA (0.44) NAAAGAAHTTHPGDALDH1A1
SCHEMBL16272977 0.82 HTR1A (0.31) HTR1ADRD2HTR2AHTR7HPGD
SCHEMBL19523497 0.78 ALDH1A1 (0.43) HTR1ADRD2HTR2AHTR7GAA
SCHEMBL15583422 0.78 NAAA (0.52) NAAAGAAHTTHPGDALDH1A1
SCHEMBL844708 0.77 POLB (0.40) HTR1ADRD2HTR2AHTR7GAA
SCHEMBL4698870 0.77 LMNA (0.43) HTR1ADRD2HTR2AHTR7HPGD
SCHEMBL15184972 0.76 — —
SCHEMBL8520233 0.75 TDP1 (0.52) NAAAGAAHTTHPGDALDH1A1
SCHEMBL14389723 0.74 NAAA (0.48) NAAAGAAHTTHPGDALDH1A1
SCHEMBL50301 0.74 NAAA (0.64) NAAAGAAHTTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100324302-A1 PROCESSES FOR MAKING EPOTHILONE COMPOUNDS AND ANALOGS BRISTOL-MYERS SQUIBB COMPANY 2010-12-23 — — 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 (2 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-20100324302-A1 PROCESSES FOR MAKING EPOTHILONE COMPOUNDS AND ANALOGS DHPS, EPOR, SQLE NAAA 3023/4885HTR1A 4439/4885DRD2 3703/4885
US-20120178941-A1 PROCESSES FOR MAKING EPOTHILONE COMPOUNDS AND ANALOGS EPOR, PYCR1, AZI2 NAAA 4598/4885HTR1A 4393/4885DRD2 2102/4885

“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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