SCHEMBL5010978

SCHEMBL5010978

C=CCc1cc(S)cc(CC=C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.41
ALDH1A1 P00352 5/20 0.40
GABRA1 P14867 4/20 0.40
GABRB2 P47870 4/20 0.40
MAPT P10636 3/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH2 P05091 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARA Q07869 1/20 0.38
TNKS O95271 2/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL215399 0.86 XDH (0.50) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL14128652 0.79 ALDH1A1 (0.42) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL1245519 0.78 XDH (0.44) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL5830931 0.77 XDH (0.45) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL20391630 0.74 XDH (0.41) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL2161291 0.74 XDH (0.41) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL12802107 0.74 ALDH1A1 (0.42) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL15144566 0.74 XDH (0.41) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL20391245 0.74 ALDH1A1 (0.42) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL165601 0.74 ALDH1A1 (0.52) XDHALDH1A1GABRA1GABRB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214660-A1 Compounds and Methods for the Inhibition of the Expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2008-09-04 US disclosed
US-7375252-B2 Compounds and method for the inhibition of the expression of VCAM-1 ATHEROGENICS, INC. (US) 2008-05-20 US disclosed
US-7189870-B2 Compounds and methods for the inhibition of the expression of VCAM-1 ATHEROGENIC, INC. (US) 2007-03-13 US disclosed
EP-1726582-A2 Compounds and methods for the inhibition of the expression of vcam-1 Atherogenics, Inc. (US) 2006-11-29 EP disclosed
EP-1695959-A1 Compouds and methods for the inhibition of the expression of VCAM-1 Atherogenics, Inc. (US) 2006-08-30 EP disclosed
US-20050171028-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 ATHEROGENICS PHARMACEUTICALS, INC. 2005-08-04 US disclosed
US-20050090487-A1 Compounds and methods for the inhibition of the expression of VCAM-1 ATHEROGENICS, INC. 2005-04-28 US disclosed
US-6852878-B2 Thioketals and thioethers for inhibiting the expression of VCAM-1 ATHEROGENICS, INC. (US) 2005-02-08 US disclosed
EP-1468989-A2 Compounds and methods for the inhibition of the expression of VCAM-1 Atherogenics, Inc. (US) 2004-10-20 EP disclosed
EP-1464639-A1 Succinic acid ester of probucol for the inhibition of the expression of VCAM-1 Atherogenics, Inc. (US) 2004-10-06 EP disclosed
EP-1289944-A2 THIOKETALS AND THIOETHERS FOR INHIBITING THE EXPRESSION OF VCAM-1 Atherogenics, Inc. (US) 2003-03-12 EP disclosed
US-20020193446-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-12-19 US disclosed
US-20020188118-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-12-12 US disclosed
US-20020177717-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-11-28 US disclosed
US-20020169215-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-11-14 US disclosed
US-20020016300-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-02-07 US disclosed
WO-2001070757-A2 THIOKETALS AND THIOETHERS FOR INHIBITING THE EXPRESSION OF VCAM-1 ATHEROGENICS, INC. (US) 2001-09-27 WO disclosed
US-6147250-A TREATING DISEASES MEDIATED BY VASCULAR CELL ADHESION MOLECULE-1, INCLUDING CARDIOVASCULAR AND INFLAMMATORY DISEASES; SUCCINOBUCOL ATHEROGENICS, INC. (US) 2000-11-14 US disclosed
EP-0994853-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 Atherogenics, Inc. (US) 2000-04-26 EP disclosed
WO-1998051662-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 ATHEROGENICS, INC. (US) 1998-11-19 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 (8 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-20020169215-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL XDH 1399/4885ALDH1A1 100/4885GABRA1 1428/4885
US-20050171028-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 VCAM1, ICAM1, KCNT1 XDH 1912/4885ALDH1A1 112/4885GABRA1 2224/4885
US-20020193446-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL XDH 1399/4885ALDH1A1 100/4885GABRA1 1428/4885
US-20080214660-A1 Compounds and Methods for the Inhibition of the Expression of VCAM-1 VCAM1, ICAM1, SELL XDH 1399/4885ALDH1A1 100/4885GABRA1 1428/4885
US-20020177717-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL XDH 1399/4885ALDH1A1 100/4885GABRA1 1428/4885
US-20020016300-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 VCAM1, ICAM1, KCNT1 XDH 1912/4885ALDH1A1 112/4885GABRA1 2224/4885
US-20020188118-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL XDH 1399/4885ALDH1A1 100/4885GABRA1 1428/4885
US-20050090487-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL XDH 1399/4885ALDH1A1 100/4885GABRA1 1428/4885

“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.