SCHEMBL3306997

SCHEMBL3306997

C/C(=C\COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)CO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ADORA3 P0DMS8 2/20 0.66
ADORA2A P29274 2/20 0.66
ADORA2B P29275 2/20 0.66
DPP4 P27487 1/20 0.66
MEN1 O00255 1/20 0.66
SLC28A1 O00337 1/20 0.66
MAP3K7 O43318 1/20 0.66
SLC28A2 O43868 1/20 0.66
GAPDH P04406 1/20 0.66
MAPK1 P28482 1/20 0.66
STAT6 P42226 1/20 0.66
PI4KA P42356 1/20 0.66
KMT2A Q03164 1/20 0.66
PI4K2B Q8TCG2 1/20 0.66
DOT1L Q8TEK3 1/20 0.66
SLC29A1 Q99808 1/20 0.66
PI4K2A Q9BTU6 1/20 0.66
SLC28A3 Q9HAS3 1/20 0.66

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
SCHEMBL3302567 0.91 ADORA1 (0.65) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL4916792 0.91 ADORA1 (0.65) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8328542 0.87 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8003533 0.86 ADORA1 (0.71) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL4944751 0.86 AHCY (0.69) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2270709 0.86 ADORA1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2534140 0.85 EHMT1 (0.70) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10786307 0.85 ADORA1 (0.72) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL3698839 0.85 ADORA3 (0.72) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL873362 0.85 ADORA3 (0.72) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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-20020169140-A1 Combination therapy for reduction of toxicity of chemotherapeutic agents HOLLIS-EDEN PHARMACEUTICALS, INC. 2002-11-14 US claimed
WO-2002069949-A2 COMBINATION THERAPY FOR REDUCTION OF TOXYCITY OF CHEMOTHERAPEUTIC AGENTS PRENDERGAST PATRICK T (IE) 2002-09-12 WO claimed
US-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2018-11-01 US disclosed
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2015-01-29 US disclosed
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss CASCADE ESTATE LTD. (MU) 2013-10-03 US disclosed
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS ZPNE GROUP GMBH (CH) 2010-04-15 US disclosed
EP-2134347-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS Prendergast, Patrick T. (AU) 2009-12-23 EP disclosed
WO-2008110585-A2 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS PRENDERGAST PATRICK T (AU) 2008-09-18 WO disclosed
US-20080139496-A1 COMBINATION THERAPY FOR REDUCTION OF TOXICITY OF CHEMOTHERAPEUTIC AGENTS CASCADE ESTATE LTD. (GB) 2008-06-12 US disclosed
US-20020169140-A1 Combination therapy for reduction of toxicity of chemotherapeutic agents HOLLIS-EDEN PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002069949-A2 COMBINATION THERAPY FOR REDUCTION OF TOXYCITY OF CHEMOTHERAPEUTIC AGENTS PRENDERGAST PATRICK T (IE) 2002-09-12 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 (4 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-20180311237-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 ADORA1 2214/4885SMN1; SMN2 254/4885ADORA3 3145/4885
US-20100092547-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS MTAP, TPMT, MUC1 ADORA1 32/4885SMN1; SMN2 4149/4885ADORA3 56/4885
US-20150031701-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING MUCOSITIS AND WEIGHT LOSS SI, MTPN, MUC1 ADORA1 2214/4885SMN1; SMN2 254/4885ADORA3 3145/4885
US-20130259930-A1 Compositions and Methods for Preventing and Treating Mucositis and Weight Loss SI, MTPN, MUC1 ADORA1 2214/4885SMN1; SMN2 254/4885ADORA3 3145/4885

“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.