SCHEMBL3618601

SCHEMBL3618601

O=C(O)c1nc(-c2ccccc2)oc1COCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 2/20 0.48
IKBKB O14920 1/20 0.44
TARBP2 Q15633 2/20 0.44
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TACR1 P25103 1/20 0.41
PPARG P37231 2/20 0.41
NCOA2 Q15596 1/20 0.41
CETP P11597 1/20 0.40
GAA P10253 1/20 0.40
STAT3 P40763 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL3616364 0.85 TARBP2 (0.62) ALDH1A1TSHRTARBP2KDM4EHSD17B10
SCHEMBL3652992 0.83 KDM4E (0.50) ALDH1A1TSHRIKBKBTARBP2KDM4E
SCHEMBL3611262 0.78 IKBKB (0.50) ALDH1A1TSHRIKBKBTARBP2KDM4E
SCHEMBL596762 0.78 TARBP2 (0.52) ALDH1A1IKBKBTARBP2KDM4EHSD17B10
SCHEMBL2879336 0.78 IKBKB (0.50) ALDH1A1TSHRIKBKBTARBP2KDM4E
SCHEMBL3605095 0.76 PPARA (0.45) ALDH1A1TSHRPPARGNPSR1PPARA
SCHEMBL2789114 0.75 TARBP2 (0.50) ALDH1A1IKBKBTARBP2KDM4EHSD17B10
SCHEMBL2490988 0.75 TARBP2 (0.59) ALDH1A1TSHRTARBP2KDM4EHSD17B10
SCHEMBL3425575 0.74 IKBKB (0.47) ALDH1A1TSHRIKBKBTARBP2KDM4E
SCHEMBL2487311 0.71 RAB9A (0.49) ALDH1A1TSHRIKBKBKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors MUTABILIS SA (FR) 2010-01-28 US disclosed
EP-2104671-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS Mutabilis SA (FR) 2009-09-30 EP disclosed
WO-2008038136-A2 SUBSTITUTED HETEROCYCLYLCARBONYLAMINO-ACETIC-ACID-DERIVATIVES AS INHIBITORS OF BACTERIAL HEPTOSE SYNTHESIS, METHODS FOR THEIR PREPARATION AND BIOLOGICAL APPLICATIONS OF SAID INHIBITORS MUTABILIS SA (FR) 2008-04-03 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-20100022541-A1 Chemical inhibitors of bacterial heptose synthesis, methods for their preparation and biological applications of said inhibitors CBR1, OXER1, CBR3 ALDH1A1 781/4885TSHR 471/4885IKBKB 1111/4885

“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.