SCHEMBL2313705

SCHEMBL2313705

Nc1cc(-c2ccc(F)cc2)sc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.77
CYP1A2 P05177 3/20 0.77
CYP2C9 P11712 3/20 0.77
CYP3A4 P08684 2/20 0.77
CYP2C19 P33261 2/20 0.77
CHUK O15111 1/20 0.77
MAPT P10636 9/20 0.63
KDM4E B2RXH2 8/20 0.63
RAB9A P51151 6/20 0.63
NPC1 O15118 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
PTPN1 P18031 1/20 0.58
BTK Q06187 1/20 0.57
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56

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
SCHEMBL4091841 0.87 IKBKB (1.00) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL29906389 0.86 IKBKB (0.60) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL875389 0.86 IKBKB (0.60) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL2044907 0.84 IKBKB (0.77) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL5192759 0.84 IKBKB (0.55) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL15881509 0.83 MAPT (0.59) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL3081896 0.83 MAPT (0.63) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL1144476 0.83 IKBKB (0.77) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL2158576 0.83 IKBKB (0.75) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL7809672 0.83 IKBKB (0.54) IKBKBCYP1A2CYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1876179-B1 Thienopyrimidone compounds TAKEDA PHARMACEUTICAL (JP) 2015-03-25 EP disclosed
WO-2014111666-A1 THIENO[3,2-D]PYRIMIDIN-4(3H)-ONE DERIVATIVES AND THE PREPARATION AND PHARMACEUTICAL USES THEREOF UNIVERSITE D'AIX-MARSEILLE (FR) 2014-07-24 WO disclosed
US-7989445-B2 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-02 US disclosed
US-20100069362-A1 Thienopyrimidone compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
EP-1597247-B1 SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2008-07-23 EP disclosed
EP-1876179-A1 THIENOPYRIMIDONE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-09 EP disclosed
CN-101098852-A Glycogen phosphorylase inhibitor compounds and pharmaceutical compositions thereof SMITHKLINE BEECHAM CORP (US) 2008-01-02 CN disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
US-7196114-B2 Substituted 3-(benzoylureido) thiophene derivatives, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-27 US disclosed
CN-1751036-A Substituted 3-(benzoylureido)-thiophene derivatives, method for the production and use thereof AVENTIS PHARMA GMBH (DE) 2006-03-22 CN disclosed
EP-1597247-A1 SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed
US-20040198742-A1 Substituted 3-(benzoylureido) thiophene derivatives, processes for preparing them and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
WO-2004072060-A1 SUBSTITUTED 3-(BENZOYLUREIDO)-THIOPHENE DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed
EP-0783501-B9 PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY URIACH & CIA SA J (ES) 2001-07-25 EP disclosed
EP-0783501-B1 PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY URIACH & CIA SA J (ES) 2001-01-10 EP disclosed
US-5807854-A THERAPY FOR FUNGI INFECTIONS IN PLANTS, ANIMALS J. URIAH & CIA. S.A. (ES) 1998-09-15 US disclosed
EP-0783501-A1 NEW PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005130-A1 NEW PYRIMIDONE DERIVATIVES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 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 (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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 IKBKB 792/4885CYP1A2 3345/4885CYP2C9 2982/4885
US-20100069362-A1 Thienopyrimidone compound MC1R, MC2R, MC5R IKBKB 3035/4885CYP1A2 579/4885CYP2C9 1104/4885
US-20040198742-A1 Substituted 3-(benzoylureido) thiophene derivatives, processes for preparing them and their use SLC5A2, TXNRD2, SLC5A1 IKBKB 1750/4885CYP1A2 26/4885CYP2C9 31/4885

“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.