SCHEMBL426292

SCHEMBL426292

CCOc1ccc2c(=O)cc(C(=O)O)oc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.72
ALDH1A1 P00352 4/20 0.72
SLC2A1 P11166 1/20 0.60
AKR1B1 P15121 2/20 0.58
USP2 O75604 1/20 0.54
CSNK2A2 P19784 1/20 0.54
PTGS1 P23219 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.52
GPR35 Q9HC97 1/20 0.52
HPGD P15428 3/20 0.51
GAA P10253 1/20 0.51
POLB P06746 3/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL5563599 0.89 KDM4E (0.61) KDM4EALDH1A1USP2CSNK2A2PTGS1
SCHEMBL8115968 0.89 SLC2A1 (0.60) KDM4EALDH1A1SLC2A1AKR1B1LOXL2
SCHEMBL9847137 0.87 KDM4E (0.66) KDM4EALDH1A1SLC2A1AKR1B1USP2
SCHEMBL8107014 0.86 KDM4E (0.76) KDM4EALDH1A1SLC2A1AKR1B1LOXL2
SCHEMBL432503 0.86 SLC2A1 (0.78) KDM4EALDH1A1SLC2A1AKR1B1LOXL2
SCHEMBL11251461 0.86 KDM4E (0.68) KDM4EALDH1A1SLC2A1AKR1B1USP2
SCHEMBL9847179 0.85 KDM4E (0.67) KDM4EALDH1A1SLC2A1AKR1B1USP2
SCHEMBL3837934 0.84 KDM4E (1.00) KDM4EALDH1A1AKR1B1USP2CSNK2A2
SCHEMBL11244993 0.84 KDM4E (0.65) KDM4EALDH1A1SLC2A1AKR1B1USP2
SCHEMBL11533808 0.81 ALDH1A1 (0.61) KDM4EALDH1A1SLC2A1AKR1B1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 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 (3 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 KDM4E 4626/4885ALDH1A1 1142/4885SLC2A1 2856/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 KDM4E 4625/4885ALDH1A1 1242/4885SLC2A1 2968/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 KDM4E 4626/4885ALDH1A1 1142/4885SLC2A1 2856/4885

“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.