SCHEMBL2919282

SCHEMBL2919282

CC(C)OC(=O)Nc1c(O)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
ALOX15 P16050 1/20 0.55
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
NLRP3 Q96P20 1/20 0.46
MAOA P21397 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPC1 O15118 1/20 0.44
CYP2D6 P10635 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7250839 0.81 CA12 (0.50) HPGDALOX15CA12CA1CA2
SCHEMBL11323212 0.78 ALDH1A1 (0.47) CYP1A2NPC1RAB9AKCNJ11ALDH1A1
SCHEMBL799896 0.77 SMN1; SMN2 (0.70) HPGDALOX15SMN1; SMN2CYP1A2CYP2C19
SCHEMBL2093283 0.75 NLRP3 (0.60) HPGDSMN1; SMN2NLRP3CYP2C9CYP2C19
SCHEMBL7256712 0.75 GAA (0.56) HPGDALOX15CA12CA1CA2
SCHEMBL4173469 0.75 MAPT (0.49) HPGDALOX15SMN1; SMN2MAOACYP1A2
SCHEMBL7255889 0.74 HPGD (0.54) HPGDALOX15CA12CA1CA2
SCHEMBL31331879 0.72 HPGD (0.69) HPGDALOX15SMN1; SMN2NLRP3CYP1A2
SCHEMBL10749929 0.72 HPGD (0.69) HPGDALOX15SMN1; SMN2NLRP3CYP1A2
SCHEMBL8652685 0.72 CA12 (0.56) HPGDALOX15CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
CN-101951778-A Use of sulfuryl fluoride as bud inhibitor DOW AGROSCIENCES LLC 2011-01-19 CN disclosed
EP-2211623-A2 USE OF SULFURYL FLUORIDE AS A SPROUT INHIBITION AGENT Dow AgroSciences LLC (US) 2010-08-04 EP disclosed
US-20090124502-A1 USE OF SULFURYL FLUORIDE AS A SPROUT INHIBITION AGENT DOW AGROSCIENCES LLC (US) 2009-05-14 US disclosed
WO-2009061862-A2 USE OF SULFURYL FLUORIDE AS A SPROUT INHIBITION AGENT DOW AGROSCIENCES LLC (US) 2009-05-14 WO disclosed
WO-2000049877-A1 BIOLOGICAL CONTROL OF SPROUTING IN POTATOES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2000-08-31 WO disclosed
US-6107247-A SUPPRESSING SPROUTING OF A POTATO TUBER BY APPLYING A WHOLE CULTURE BROTH OF A BACTERIAL ISOLATE SELECTED FROM SPECIFIED BACTERIA OF PANTOEA, PSEUDOMONAS, OR ENTEROBACTER THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2000-08-22 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 HPGD 424/4885ALOX15 207/4885CA12 687/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 HPGD 424/4885ALOX15 207/4885CA12 687/4885

“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.