SCHEMBL25028

SCHEMBL25028

CC(=O)OC(=O)c1cc(Br)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
CES2 O00748 1/20 0.58
GALR3 O60755 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58
CASP1 P29466 1/20 0.58
CYP2C19 P33261 1/20 0.58
GSTA1 P08263 3/20 0.50
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL30362168 0.81 CA12 (0.67) HPGDCES2GALR3CYP1A2CYP2C9
SCHEMBL5267852 0.81 CA12 (0.67) HPGDALOX15MAPTCA12CA1
SCHEMBL205635 0.81 CA12 (0.67) HPGDCES2GALR3CYP1A2CYP2C9
SCHEMBL11121871 0.79 MAOA (0.52) HPGDCES2GALR3CYP1A2CYP2C9
SCHEMBL11121908 0.79 GSTA1 (0.55) HPGDCES2GALR3CYP1A2CYP2C9
SCHEMBL309016 0.79 HPGD (0.69) HPGDCES2GALR3CYP1A2CYP2C9
SCHEMBL1115036 0.79 CA1 (0.56) HPGDALOX15MAPTCA12CA1
SCHEMBL9575221 0.79 CYP3A4 (0.56) HPGDCYP2C9ALOX15CASP1CYP2C19
SCHEMBL12311622 0.79 HPGD (0.58) HPGDCES2GALR3CYP1A2CYP2C9
SCHEMBL8143660 0.77 HPGD (0.56) HPGDCES2GALR3CYP1A2CYP2C9

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 1071 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841066-B1 ANTI-INFLUENZA AGENT CONJUGATED TO ANTI-INFLAMMATORY AGENT ACADEMIA SINICA (TW) 2021-02-17 EP claimed
US-10758626-B2 Polymer conjugate comprising a bioactive agent POLYACTIVA PTY LTD (AU) 2020-09-01 US claimed
EP-3524272-A1 ENHANCED ANTI-INFLUENZA AGENTS CONJUGATED WITH ANTI-INFLAMMATORY ACTIVITY Academia Sinica (TW) 2019-08-14 EP claimed
US-20180303948-A1 POLYMER CONJUGATE COMPRISING A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2018-10-25 US claimed
EP-3347052-A1 POLYMER CONJUGATE COMPRISING A BIOACTIVE AGENT Polyactiva Pty Ltd (AU) 2018-07-18 EP claimed
US-9968684-B2 Polymer-NSAID conjugate POLYACTIVA PTY LTD (AU) 2018-05-15 US claimed
EP-2863921-B1 POLYMER-NSAID CONJUGATE POLYACTIVA PTY LTD (AU) 2018-04-18 EP claimed
WO-2017041142-A1 POLYMER CONJUGATE COMPRISING A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2017-03-16 WO claimed
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2015-11-19 US claimed
US-20150150999-A1 POLYMER-NSAID CONJUGATE POLYACTIVA PTY LTD (AU) 2015-06-04 US claimed
US-20040023890-A1 Drugs for diabetes NICOX S.A. (FR) 2004-02-05 US claimed
WO-2004005309-A2 NOVEL NONSTEROIDAL ANTI-INFLAMMATORY SUBSTANCES, COMPOSITIONS AND METHODS FOR THEIR USE PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (US) 2004-01-15 WO claimed
WO-2004005313-A2 HYBRID MOLECULES OF MACROLIDES WITH STEROID/NON-STEROID ANTI-INFLAMMATORY, ANTINEOPLASTIC AND ANTIVIRAL ACTIVE MOLECULES PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (US) 2004-01-15 WO claimed
US-20030235617-A1 Pharmaceutical dosage form for mucosal delivery MCNEIL-PPC, INC 2003-12-25 US claimed
US-20030180357-A1 Pharmaceutical tablet MCNEIL-PPC, INC 2003-09-25 US claimed
CN-1433396-A Pharmaceutical compounds NICOX SA (FR) 2003-07-30 CN claimed
EP-1324974-A2 DRUGS FOR DIABETES Nicox S.A. (FR) 2003-07-09 EP claimed
CN-1358178-A Pharmaceutical compounds NICOX SA (FR) 2002-07-10 CN claimed
CN-1354740-A Pharmaceutical compounds NICOX SA (FR) 2002-06-19 CN claimed
WO-2002030867-A2 DRUGS FOR DIABETES NICOX S.A. (FR) 2002-04-18 WO 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 (7 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-20030180357-A1 Pharmaceutical tablet GYPA, SORD, SRI HPGD 313/4885CES2 4206/4885GALR3 331/4885
US-20150150999-A1 POLYMER-NSAID CONJUGATE PTGS1, PTGES3, PTGES HPGD 36/4885CES2 1040/4885GALR3 3618/4885
US-10758626-B2 Polymer conjugate comprising a bioactive agent MSN, PAM, PARG HPGD 100/4885CES2 1381/4885GALR3 564/4885
US-20040023890-A1 Drugs for diabetes SLC5A2, ADORA2B, UGT2B7 HPGD 1309/4885CES2 115/4885GALR3 2364/4885
US-20180303948-A1 POLYMER CONJUGATE COMPRISING A BIOACTIVE AGENT MSN, PAM, PARG HPGD 100/4885CES2 1381/4885GALR3 564/4885
US-20030235617-A1 Pharmaceutical dosage form for mucosal delivery SI, UGGT1, GYPA HPGD 188/4885CES2 3380/4885GALR3 255/4885
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, PTGIS HPGD 7/4885CES2 179/4885GALR3 1208/4885

“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.