SCHEMBL438271

SCHEMBL438271

Cc1nc(-c2ccc(O)c(C#N)c2)sc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.68
TARBP2 Q15633 2/20 0.64
ABCC4 O15439 1/20 0.64
ABCB11 O95342 1/20 0.64
PGR P06401 1/20 0.64
CHRM1 P11229 1/20 0.64
PDE4A P27815 1/20 0.64
BLVRB P30043 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.64
RAB9A P51151 3/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
F11 P03951 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 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
SCHEMBL25083600 0.90 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL9275546 0.86 XDH (0.53) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL469731 0.84 CDC7 (0.58) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL30804867 0.84 CDC7 (0.58) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL3379629 0.84 KDM4E (0.65) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL1331587 0.84 XDH (0.64) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL19523344 0.84 XDH (0.64) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL2184198 0.83 XDH (0.57) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL19523322 0.82 XDH (0.63) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL19523320 0.82 RAB9A (0.67) XDHTARBP2ABCC4ABCB11PGR

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613780-A1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT Takeda Pharmaceuticals U.S.A., Inc. (US) 2013-07-17 EP claimed
US-20130143886-A1 METHODS FOR PRESERVING AND/OR INCREASING RENAL FUNCTION USING XANTHINE OXIDOREDUCTASE INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2013-06-06 US claimed
EP-2582812-A1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS Takeda Pharmaceuticals U.S.A., Inc. (US) 2013-04-24 EP claimed
US-20130012553-A1 METHODS FOR STABILIZING JOINT DAMAGE IN SUBJECTS USING XANTHINE OXIDOREDUCTASE INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. 2013-01-10 US claimed
US-20120065236-A1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. (US) 2012-03-15 US claimed
US-20120065215-A1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. (US) 2012-03-15 US claimed
WO-2012033941-A1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. (US) 2012-03-15 WO claimed
US-20120065207-A1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. (US) 2012-03-15 US claimed
US-20110311620-A1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. (US) 2011-12-22 US claimed
WO-2011159745-A1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS TAKEDA PHARMACEUTICALS NORTH AMERICA, INC. (US) 2011-12-22 WO claimed
EP-1957064-A2 TREATMENT OF QT INTERVAL PROLONGATION AND DISEASES ASSOCIATED THEREWITH Tap Pharmaceutical Products, Inc. (US) 2008-08-20 EP claimed
WO-2008089296-A1 METHODS FOR PREVENTING OR REDUCING THE NUMBER OF GOUT FLARES USING XANTHINE OXIDOREDUCTASE INHIBITORS AND ANTI-INFLAMMATORY AGENTS TAKEDA PHARMACEUTICALS NORTH AMERICA (US) 2008-07-24 WO claimed
EP-1940397-A2 METHODS FOR TREATING HYPERTENSION Tap Pharmaceutical Products, Inc. (US) 2008-07-09 EP claimed
WO-2008064015-A1 METHODS FOR PRESERVING RENAL FUNCTION USING XANTHINE OXIDOREDUCTASE INHIBITORS TAKEDA PHARMACEUTICALS NORTH AMERICA (US) 2008-05-29 WO claimed
EP-1883405-A2 METHODS FOR TREATING NEPHROLITHIASIS TAP Pharmaceutical Products, Inc. (US) 2008-02-06 EP claimed
US-20070167454-A1 Methods for treating hypertension TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-07-19 US claimed
WO-2007062028-A2 TREATMENT OF QT INTERVAL PROLONGATION AND DISEASES ASSOCIATED THEREWITH TAP PHARMACEUTICAL PRODUCTS, INC. (US) 2007-05-31 WO claimed
WO-2007019153-A2 METHODS FOR TREATING HYPERTENSION TAP PHARMACEUTICAL PRODUCTS, INC. (US) 2007-02-15 WO claimed
WO-2006121995-A2 METHODS FOR TREATING NEPHROLITHIASIS TAP PHARMACEUTICAL PRODUCTS, INC. (US) 2006-11-16 WO claimed
US-20060252808-A1 Methods for treating nephrolithiasis TAKEDA PHARMACEUTICALS U.S.A., INC. 2006-11-09 US claimed

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-20120065215-A1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT XDH, HPRT1, TPMT XDH 1/4885TARBP2 909/4885ABCC4 954/4885
US-20060252808-A1 Methods for treating nephrolithiasis XDH, OAT, LPO XDH 1/4885TARBP2 4575/4885ABCC4 2152/4885
US-20120065207-A1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT XDH, HPRT1, TPMT XDH 1/4885TARBP2 909/4885ABCC4 954/4885
US-20070167454-A1 Methods for treating hypertension XDH, REN, CYP11B2 XDH 1/4885TARBP2 4825/4885ABCC4 3492/4885
US-20130143886-A1 METHODS FOR PRESERVING AND/OR INCREASING RENAL FUNCTION USING XANTHINE OXIDOREDUCTASE INHIBITORS XDH, GLS, REN XDH 1/4885TARBP2 4837/4885ABCC4 2529/4885
US-20120065236-A1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT XDH, HPRT1, TPMT XDH 1/4885TARBP2 909/4885ABCC4 954/4885
US-20110311620-A1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS XDH, PNPO, DUOX1 XDH 1/4885TARBP2 3493/4885ABCC4 706/4885
US-20130012553-A1 METHODS FOR STABILIZING JOINT DAMAGE IN SUBJECTS USING XANTHINE OXIDOREDUCTASE INHIBITORS XDH, AOX1, NQO1 XDH 1/4885TARBP2 2686/4885ABCC4 2815/4885

“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.