SCHEMBL1979123

SCHEMBL1979123

COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.53
MMP2 P08253 3/20 0.53
HCRTR1 O43613 2/20 0.50
HCRTR2 O43614 2/20 0.50
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.46
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL8498279 0.84 MMP1 (0.62) MMP2POLBALDH1A1MMP1MMP3
SCHEMBL8144145 0.84 MMP1 (0.62) MMP2POLBALDH1A1MMP1MMP3
SCHEMBL8106846 0.83 KMT2A (0.64) ANPEPMMP2POLBKMT2AALDH1A1
SCHEMBL21551113 0.83 KMT2A (0.64) ANPEPMMP2POLBKMT2AALDH1A1
SCHEMBL2227030 0.83 KMT2A (0.64) ANPEPMMP2POLBKMT2AALDH1A1
SCHEMBL5409165 0.82 MME (0.49) ANPEPMMP2HCRTR1HCRTR2POLB
SCHEMBL7166230 0.82 MME (0.49) ANPEPMMP2HCRTR1HCRTR2POLB
SCHEMBL6980507 0.82 MME (0.49) ANPEPMMP2HCRTR1HCRTR2POLB
SCHEMBL1980805 0.82 HCRTR1 (0.47) ANPEPMMP2HCRTR1HCRTR2KMT2A
SCHEMBL9505317 0.81 MMP2 (0.61) ANPEPMMP2POLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326834-B1 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS H LEE MOFFITT CANCER CT & RES (US) 2011-06-29 EP disclosed
US-6809093-B2 DRUG RESISTANCE THERAPY H. LEE MOFFITT CANCER & RESEARCH INSTITUTE, INC. 2004-10-26 US disclosed
EP-1326834-A2 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS The Procter & Gamble Company (US) 2003-07-16 EP disclosed
US-20020119960-A1 Substituted piperidine amides and methods of their use H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. 2002-08-29 US disclosed
WO-2002032868-A2 2-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE IN TREATING MULTIDRUG RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 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 (1 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-20020119960-A1 Substituted piperidine amides and methods of their use ABCC1, SLC11A2, ABCB1 ANPEP 745/4885MMP2 1167/4885HCRTR1 2339/4885

“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.