SCHEMBL4087758

SCHEMBL4087758

Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.66
▸ ABCB1 P08183 1/20 0.64
▸ ADORA1 P30542 2/20 0.64
▸ ADORA3 P0DMS8 1/20 0.64
▸ ADORA2A P29274 1/20 0.64
▸ ADORA2B P29275 1/20 0.64
▸ TARS1 P26639 2/20 0.62
▸ TAS1R3 Q7RTX0 2/20 0.62
▸ TAS1R1 Q7RTX1 2/20 0.62
▸ DNPH1 O43598 1/20 0.62
▸ PRKAB2 O43741 1/20 0.62
▸ TRPM2 O94759 1/20 0.62
▸ LDHA P00338 1/20 0.62
▸ ADRB2 P07550 1/20 0.62
▸ FBP1 P09467 1/20 0.62
▸ SRC P12931 1/20 0.62
▸ P2RY2 P41231 1/20 0.62
▸ P2RY1 P47900 1/20 0.62
▸ PRKAG1 P54619 1/20 0.62
▸ PRKAA2 P54646 1/20 0.62

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
SCHEMBL3904204 1.00 RXFP1 (0.66) RXFP1ABCB1ADORA1ADORA3ADORA2A
SCHEMBL14178245 0.90 ABCB1 (0.68) RXFP1ABCB1ADORA1ADORA3ADORA2A
SCHEMBL10616372 0.88 ADORA1 (0.53) RXFP1ABCB1ADORA1
SCHEMBL11047185 0.86 DOT1L (0.62) ABCB1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL11038934 0.86 DOT1L (0.62) ABCB1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL11459665 0.86 ADORA1 (0.71) RXFP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL2294870 0.85 CA1 (0.73) RXFP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL14201601 0.85 CA1 (0.73) RXFP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL2294876 0.85 CA1 (0.73) RXFP1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL30208039 0.85 CA1 (0.73) RXFP1ADORA1ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571474-B1 ORTHOMOLECULAR METHOD OF TREATING SICKLE CELL DISEASE WILBURN MICHAEL (US) 1998-12-30 — — EP claimed
WO-2009105077-A2 METHODS FOR PREPARING MODIFIED BIOMOLECULES, MODIFIED BIOMOLECULES AND METHODS FOR USING SAME VISIGEN BIOTECHNOLOGIES, INC. (US) 2009-08-27 — — WO disclosed
US-20090186343-A1 METHODS FOR PREPARING MODIFIED BIOMOLECULES, MODIFIED BIOMOLECULES AND METHODS FOR USING SAME VISIGEN BIOTECHNOLOGIES, INC. (US) 2009-07-23 — — US disclosed
US-20030078231-A1 Orthomolecular sulpho-adenosylmethionine derivatives with antioxidant properties WILBURN MICHAEL D (US) 2003-04-24 — — US disclosed
US-20030007961-A1 Orthomolecular vitamin E derivatives WILBURN MICHAEL D (US) 2003-01-09 — — US disclosed
EP-0655088-B1 OLIGONUCLEOTIDES HAVING CHIRAL PHOSPHORUS LINKAGES ISIS PHARMACEUTICALS INC (US) 2002-07-24 — — EP disclosed
EP-0571474-B1 ORTHOMOLECULAR METHOD OF TREATING SICKLE CELL DISEASE WILBURN MICHAEL (US) 1998-12-30 — — EP disclosed
EP-0693475-B1 1-Phenyl-3-dimethylamino-propane derivatives having pharmacological activity GRUENENTHAL GMBH (DE) 1998-02-11 — — EP disclosed
EP-0693475-A1 1-Phenyl-3-dimethylamino-propane derivatives having pharmacological activity Grünenthal GmbH (DE) 1996-01-24 — — EP disclosed
EP-0311694-B1 NUCLEOSIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION RIKAGAKU KENKYUSHO (JP) 1995-12-13 — — EP disclosed
EP-0571474-A4 — — 1994-02-09 — — EP disclosed
US-5177208-A Alpha-(S-adenosylmethionine)-o-tocopherol WILBURN MICHAEL (US) 1993-01-05 — — US disclosed
US-5108754-A Alpha-(S-adenosylmethionine)-O-tocopherol, glutathione, vitamins and minerals WILBURN MICHAEL (US) 1992-04-28 — — US disclosed
US-4438270-A DECARBOXYLASE INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1984-03-20 — — 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-20030078231-A1 Orthomolecular sulpho-adenosylmethionine derivatives with antioxidant properties MAT1A, LPO, TPMT RXFP1 2260/4885ABCB1 2467/4885ADORA1 51/4885
US-20030007961-A1 Orthomolecular vitamin E derivatives RBP4, RBP1, VDR RXFP1 1268/4885ABCB1 3767/4885ADORA1 1280/4885

“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.

Send feedback