SCHEMBL1040958

SCHEMBL1040958

COCCO[C@@H]1[C@H](O)[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.56
P2RY12 Q9H244 2/20 0.47
ADORA1 P30542 3/20 0.46
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
P2RY2 P41231 1/20 0.45
P2RY1 P47900 1/20 0.45
P2RY6 Q15077 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
SCHEMBL6834984 1.00 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL30200670 1.00 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6899475 0.95 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL7068382 0.95 TYMP (0.54) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6466222 0.95 TYMP (0.54) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6898807 0.94 TYMP (0.55) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6900160 0.94 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL7261560 0.94 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL23650062 0.94 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6513309 0.94 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B

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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580948-B2 Modulation of forkhead box O1A expression ISIS PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-20130030036-A1 MODULATION OF FORKHEAD BOX O1A EXPRESSION DOBIE KENNETH W (US) 2013-01-31 US disclosed
US-8227593-B2 Modulation of forkhead box O1A expression ISIS PHARMACEUTICALS, INC. (US) 2012-07-24 US disclosed
US-20120184031-A1 ANTISENSE INHIBITION VIA RNASE H-INDEPENDENT REDUCTION IN MRNA ISIS PHARMACEUTICALS, INC. (US) 2012-07-19 US disclosed
US-20110039913-A1 ANTISENSE MODULATION OF HYDROXYSTEROID 11-BETA DEHYDROGENASE 1 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
EP-2272958-A1 Modulation of forkhead box O1A expression ISIS Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20100311824-A1 MODULATION OF FORKHEAD BOX O1A EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
US-7816336-B2 Antisense modulation of hydroxysteroid 11-beta dehydrogenase 1 expression ISIS PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-7229976-B2 Modulation of forkhead box O1A expression ISIS PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-7163927-B2 Antisense modulation of kinesin-like 1 expression ISIS PHARMACEUTICALS, INC. (US) 2007-01-16 US disclosed
US-20030225256-A1 Antisense modulation of pctaire protein kinase 2 expression ISIS PHARMACEUTICALS INC. 2003-12-04 US disclosed
US-20030225015-A1 Antisense modulation of Rb2/p130 expression ISIS PHARMACEUTICALS INC. 2003-12-04 US disclosed
US-20030225019-A1 Notch1 inhibitors for inducing apoptosis ISIS PHARMACEUTICALS, INC. 2003-12-04 US disclosed
US-20030225014-A1 Antisense modulation of PLML expression ISIS PHARMACEUTICALS INC. 2003-12-04 US disclosed
US-20030225012-A1 Antisense modulation of transcription factor DP-1 expression ISIS PHARMACEUTICALS INC. 2003-12-04 US disclosed
US-20030224513-A1 Antisense modulation of Notch1 expression ISIS PHARMACEUTICALS INC. 2003-12-04 US disclosed
US-20030220273-A1 Antisense modulation of phosphodiesterase 4D expression ISIS PHARMACEUTICALS INC. 2003-11-27 US disclosed
US-20030220275-A1 Antisense modulation of kinesin-like 1 expression ISIS PHARMACEUTICALS, INC. 2003-11-27 US disclosed
US-20030212017-A1 Antisense modulation of farnesyl transferase beta subunit expression ISIS PHARMACEUTICALS INC. 2003-11-13 US disclosed
US-20030211606-A1 Antisense modulation of DYRK4 expression ISIS PHARMACEUTICALS INC. 2003-11-13 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-20130030036-A1 MODULATION OF FORKHEAD BOX O1A EXPRESSION FOXO1, FOXO3, FOXK1 TYMP 1269/4885P2RY12 4678/4885ADORA1 2320/4885
US-20100311824-A1 MODULATION OF FORKHEAD BOX O1A EXPRESSION FOXO1, FOXO3, FOXK1 TYMP 1323/4885P2RY12 4682/4885ADORA1 2206/4885

“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.