SCHEMBL3201339

SCHEMBL3201339

O=C(O)COc1ccc(Br)cc1CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 1.00
MAPT P10636 2/20 0.67
NPC1 O15118 2/20 0.66
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
RAB9A P51151 1/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PTGDR Q13258 1/20 0.54
PKM P14618 1/20 0.51
ELANE P08246 2/20 0.51
F2 P00734 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
SCHEMBL4625499 0.88 PTGDR2 (0.79) PTGDR2MAPTNPC1POLBTSHR
SCHEMBL5699506 0.87 PTGDR2 (0.77) PTGDR2MAPTNPC1ALDH1A1LMNA
SCHEMBL6858506 0.85 PTGDR2 (0.74) PTGDR2MAPTNPC1ALDH1A1LMNA
SCHEMBL4201869 0.81 PTGDR2 (0.68) PTGDR2MAPTNPC1ALDH1A1LMNA
SCHEMBL19301710 0.81 ELANE (0.71) PTGDR2MAPTNPC1TDP1L3MBTL1
SCHEMBL1615073 0.81 PKM (0.70) PTGDR2MAPTNPC1ALDH1A1LMNA
SCHEMBL9121402 0.80 PTGDR2 (0.67) PTGDR2MAPTNPC1ALDH1A1LMNA
SCHEMBL13903612 0.80 PTGDR2 (0.67) PTGDR2MAPTNPC1ALDH1A1LMNA
SCHEMBL121636 0.80 MAPT (1.00) PTGDR2MAPTTSHRTDP1PTGDR
SCHEMBL3044855 0.79 PTGDR2 (0.79) PTGDR2POLBTSHRCTDSP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-01-03 US disclosed
US-20210284654-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2021-09-16 US disclosed
EP-3819305-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2021-05-12 EP disclosed
US-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
US-7423185-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-09-09 US disclosed
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 EP disclosed
US-6780859-B2 FOR THERAPY OF DIABETES, OBESITY, IMPAIRED GLUCOSE TOLERANCE, GASTROINTESTINAL DISORDERS, HYPERTRIGLYCERIDEMIA, HYPERCHOLESTEOLEMIA, ATHEROSCLEROTIC DISORDERS, OR CARDIOVASCULAR DISORDERS BAYER PHARMACEUTICALS CORPORATION 2004-08-24 US disclosed
EP-1430043-A1 BENZOFURAN AND DIHYDROBENZOFURAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS Bayer Pharmaceuticals Corporation (US) 2004-06-23 EP disclosed
US-20030195352-A1 Benzofuran and dihydrobenzofuran derivatives useful as beta-3 adrenoreceptor agonists BAYER PHARMACEUTICALS CORPORATION 2003-10-16 US disclosed
WO-2003024948-A1 BENZOFURAN AND DIHYDROBENZOFURAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-03-27 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 (6 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-20030195352-A1 Benzofuran and dihydrobenzofuran derivatives useful as beta-3 adrenoreceptor agonists ADRB3, ADRB1, ADRB2 PTGDR2 490/4885MAPT 1939/4885NPC1 1909/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A PTGDR2 156/4885MAPT 3469/4885NPC1 3071/4885
US-11542273-B2 Amide compound having bet proteolysis-inducing action and medicinal application thereof BET1, BRD4, PHKB PTGDR2 4214/4885MAPT 3109/4885NPC1 3288/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A PTGDR2 571/4885MAPT 4123/4885NPC1 2459/4885
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A PTGDR2 571/4885MAPT 4123/4885NPC1 2459/4885
US-20210284654-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF BET1, BRD4, PHKB PTGDR2 4236/4885MAPT 3143/4885NPC1 3072/4885

“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.