SCHEMBL2071265

SCHEMBL2071265

C[C@H](C=O)CCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP3 P08254 2/20 0.40
MMP1 P03956 1/20 0.40
TEAD3 Q99594 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NAAA Q02083 2/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL3485153 1.00 CTSB (0.44) CTSBTSHRTDP1L3MBTL1MMP3
SCHEMBL3484734 1.00 CTSB (0.44) CTSBTSHRTDP1L3MBTL1MMP3
SCHEMBL27604046 0.90 TSHR (0.47) CTSBTSHRMEN1KMT2ATAAR1
SCHEMBL28145970 0.82 TDP1 (0.43) TSHRTDP1L3MBTL1MMP3MMP1
SCHEMBL18616451 0.81 TSHR (0.52) CTSBTSHRTDP1L3MBTL1MMP3
SCHEMBL18940894 0.81 TSHR (0.44) CTSBTSHRTDP1L3MBTL1MMP3
SCHEMBL20692515 0.80 TDP1 (0.40) CTSBTSHRTDP1L3MBTL1MMP3
SCHEMBL7627184 0.80 TSHR (0.50) CTSBTSHRMEN1KMT2ATAAR1
SCHEMBL121000 0.80 TSHR (0.50) CTSBTSHRMEN1KMT2ATAAR1
SCHEMBL5228321 0.80 TSHR (0.50) CTSBTSHRMEN1KMT2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893268-B2 Epithiolone analogues UNIVERSITY OF TOLEDO (US) 2011-02-22 US disclosed
US-20110009459-A1 EPOTHILONE DERIVATIVES NOVARTIS AG (CH) 2011-01-13 US disclosed
US-7825141-B2 Epothilone derivatives NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20090258904-A1 Epithiolone Analogues UNIVERSITY OF TOLEDO 2009-10-15 US disclosed
US-20080114040-A1 Epothilone Derivatives NOVARTIS AG (CH) 2008-05-15 US disclosed
WO-2007015929-A2 EPOTHILONE ANALOGUES UNIVERSITY OF TOLEDO (US) 2007-02-08 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 (3 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-20080114040-A1 Epothilone Derivatives EPOR, CYP11B2, VKORC1L1 CTSB 3560/4885TSHR 1420/4885TDP1 4653/4885
US-20090258904-A1 Epithiolone Analogues ESRRB, ESR2, ESRRA CTSB 4411/4885TSHR 2808/4885TDP1 4297/4885
US-20110009459-A1 EPOTHILONE DERIVATIVES EPOR, CYP11B2, VKORC1L1 CTSB 3560/4885TSHR 1420/4885TDP1 4653/4885

“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.