SCHEMBL3537702

SCHEMBL3537702

CC1(C)OC(=O)c2cc(C[O])ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.33
GSTP1 P09211 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 7/20 0.33
GLA P06280 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 2/20 0.32

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
SCHEMBL2868883 0.87 TSHR (0.38) TSHRALOX15ALOX12SMN1; SMN2LMNA
SCHEMBL29225754 0.85 TSHR (0.36) TSHRALOX15ALOX12SMN1; SMN2LMNA
SCHEMBL2472068 0.85 PDPK1 (0.37) TSHRALOX15ALOX12SMN1; SMN2LMNA
SCHEMBL25961101 0.81 TDP1 (0.43) SMN1; SMN2LMNAHPGDL3MBTL1TDP1
SCHEMBL26564766 0.79 FFAR1 (0.42) CDC25B
Acetic Acid SCHEMBL2470427 0.79 SMN1; SMN2 (0.38) ALOX15ALOX12SMN1; SMN2LMNAHPGD
SCHEMBL734522 0.77 KDM4E (0.47) TSHRSMN1; SMN2LMNANPC1RAB9A
SCHEMBL29225744 0.76 ALOX15 (0.35) ALOX15ALOX12
SCHEMBL29225739 0.76 ALOX15 (0.35) ALOX15ALOX12
SCHEMBL730039 0.76 KMT2A (0.42) TSHRALOX12SMN1; SMN2LMNAHPGD

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
EP-1746888-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2007-01-31 EP claimed
WO-2005112640-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2005-12-01 WO claimed
US-7820697-B2 Compositions and method for reducing TNFα levels CELGENE CORPORATION (US) 2010-10-26 US disclosed
US-20080287496-A1 1-Oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels CELGENE CORPORATION 2008-11-20 US disclosed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP disclosed
EP-1746888-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2007-01-31 EP disclosed
US-20060030592-A1 I-Oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels CELGENE CORPORATION 2006-02-09 US disclosed
WO-2005112640-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2005-12-01 WO disclosed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP disclosed
EP-1064277-B1 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF INFLAMMATORY CYTOKINES CELGENE CORP (US) 2005-06-15 EP disclosed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO disclosed
EP-1357120-A1 2-(2,6-dioxopiperidin-3-yl)isoindoline derivatives, their preparation and their use as inhibitors of inflammatory cytokines CELGENE CORPORATION (US) 2003-10-29 EP disclosed
US-20030028028-A1 1-oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels CELGENE CORPORATION 2003-02-06 US disclosed
US-6403613-B1 ANTI-INFLAMMATORY AGENT THAT REDUCES LEVELS OF CYTOKINES (INCLUDING TUMOR NECROSIS FACTOR) CELGENE CORPORATION 2002-06-11 US disclosed
US-20010006973-A1 1-OXO- AND 1,3-DIOXOISOINDOLINES AND METHOD OF REDUCING INFLAMMATORY CYTOKINE LEVELS MAN HON-WAH (US) 2001-07-05 US disclosed
EP-1064277-A1 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF INFLAMMATORY CYTOKINES Gelgene Corporation (US) 2001-01-03 EP disclosed
WO-1999047512-A1 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF INFLAMMATORY CYTOKINES COLGENE CORPORATION (US) 1999-09-23 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-20060030592-A1 I-Oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels IL1A, IL1B, TNF TSHR 3233/4885ALOX15 538/4885ALOX12 555/4885
US-20080287496-A1 1-Oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels IL1A, IL1B, TNF TSHR 3294/4885ALOX15 601/4885ALOX12 626/4885
US-20010006973-A1 1-OXO- AND 1,3-DIOXOISOINDOLINES AND METHOD OF REDUCING INFLAMMATORY CYTOKINE LEVELS TNF, IL1A, IL1B TSHR 3000/4885ALOX15 624/4885ALOX12 646/4885
US-20030028028-A1 1-oxo- and 1,3-dioxoisoindolines and method of reducing inflammatory cytokine levels TNF, IL1A, IL1B TSHR 3000/4885ALOX15 624/4885ALOX12 646/4885

“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.