Sugi Predict

Sugi Predict / Compounds / SCHEMBL1858837

SCHEMBL1858837

SCHEMBL1858837

O=C(O)C1[CH]CCC(c2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.58
▸ AKR1C1 Q04828 1/20 0.58
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.38
▸ SLC18A3 Q16572 1/20 0.38
▸ FFAR4 Q5NUL3 8/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ FABP7 O15540 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
Bicarbonate SCHEMBL7572186 0.76 AKR1C3 (0.70) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL779950 0.75 AKR1C3 (0.44) AKR1C3AKR1C1SIGMAR1SLC18A3GAA
SCHEMBL26144401 0.73 AKR1C3 (1.00) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL17292430 0.73 AKR1C3 (0.72) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL13589988 0.73 AKR1C3 (0.72) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL1073107 0.73 AKR1C3 (1.00) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL17811172 0.73 AKR1C3 (1.00) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
SCHEMBL14433729 0.73 AKR1C3 (0.72) AKR1C3AKR1C1NPC1RAB9ASIGMAR1
Bicarbonate SCHEMBL7568966 0.72 AKR1C3 (0.60) AKR1C3AKR1C1SLC18A3
SCHEMBL5966260 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939509-B2 Partial and full agonists of A1 adenosine receptors GILEAD SCIENCES, INC. (US) 2011-05-10 — — US disclosed
EP-2259790-A1 ABCA-1 ELEVATING COMPOUNDS AND THE USE THEREOF Gilead Palo Alto, Inc. (US) 2010-12-15 — — EP disclosed
US-20100210579-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS GILEAD PALO ALTO, INC. (US) 2010-08-19 — — US disclosed
US-7713946-B2 Partial and full agonists A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2010-05-11 — — US disclosed
US-7655638-B2 2-{6-[((1R,2R)-2-hydroxycyclopentyl)amino]purin-9-yl}(4S,5S,2R,3R)-5-[(2-chloro-6-methylphenylthio)methyl]oxolane-3,4-diol; atrial fibrillation, tachycardia and atrial flutter, congestive heart failure, epilepsy, stroke, diabetes, obesity, ischemia, angina, cardiac transplant, and myocardial infarction GILEAD PALO ALTO, INC. (US) 2010-02-02 — — US disclosed
EP-2120954-A1 ADENOSINE DERIVATIVES AS PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV Therapeutics Inc. (US) 2009-11-25 — — EP disclosed
US-20090247557-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS GILEAD SCIENCES, INC. 2009-10-01 — — US disclosed
WO-2009100326-A1 ABCA-1 ELEVATING COMPOUNDS AND THE USE THEREOF CV THERAPEUTICS, INC. (US) 2009-08-13 — — WO disclosed
US-20090203689-A1 ABCA-1 ELEVATING COMPOUNDS AND METHODS CV THERAPEUTICS, INC. 2009-08-13 — — US disclosed
WO-2008077050-A1 ADENOSINE DERIVATIVES AS PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2008-06-26 — — WO disclosed
US-20070185051-A1 Partial and full agonists of A1 adenosine receptors GILEAD SCIENCES, INC. 2007-08-09 — — US disclosed
US-20070066560-A1 Partial and full agonists of A1 adenosine receptors ELZEIN ELFATIH 2007-03-22 — — US disclosed
US-7157440-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2007-01-02 — — US disclosed
US-6946449-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2005-09-20 — — US disclosed
US-20050020532-A1 Partial and full agonists of A1 adenosine receptors GILEAD PALO ALTO, INC. 2005-01-27 — — US disclosed
WO-2004007519-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-01-22 — — WO disclosed
US-20030050275-A1 Partial and full agonists of A1 adenosine receptors GILEAD PALO ALTO, INC. 2003-03-13 — — 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 (7 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-20070066560-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 AKR1C3 603/4885AKR1C1 686/4885NPC1 1301/4885
US-20100210579-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS ADORA1, ADORA2A, GPR119 AKR1C3 250/4885AKR1C1 227/4885NPC1 1089/4885
US-20030050275-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 AKR1C3 592/4885AKR1C1 653/4885NPC1 1364/4885
US-20090247557-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS ADORA1, ADORA2A, GPR119 AKR1C3 250/4885AKR1C1 227/4885NPC1 1089/4885
US-20050020532-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 AKR1C3 603/4885AKR1C1 686/4885NPC1 1301/4885
US-20070185051-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, GPR119 AKR1C3 250/4885AKR1C1 227/4885NPC1 1089/4885
US-20090203689-A1 ABCA-1 ELEVATING COMPOUNDS AND METHODS ABCF1, ABCB4, SREBF1 AKR1C3 371/4885AKR1C1 269/4885NPC1 16/4885

“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.