SCHEMBL1503740

SCHEMBL1503740

COC1CC(C(=O)OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.48
TSHR P16473 2/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
CPB1 P15086 1/20 0.46
NAMPT P43490 1/20 0.46
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
FKBP1A P62942 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL18717596 1.00 ALDH1A1 (0.50) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL28785016 0.90 TSHR (0.47) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL25941039 0.90 TSHR (0.47) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL13880006 0.87 TSHR (0.51) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL26704708 0.87 TSHR (0.51) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL17390977 0.87 ALDH1A1 (0.60) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL17391194 0.87 ALDH1A1 (0.60) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL17390980 0.87 ALDH1A1 (0.60) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL9002126 0.87 ALDH1A1 (0.60) ALDH1A1HPGDTSHRFABP7FABP5
SCHEMBL16943478 0.86 ALDH1A1 (0.49) ALDH1A1HPGDTSHRFABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use ABBVIE S.Á.R.L. (LU) 2020-05-12 US disclosed
US-20190330207-A1 N-Sulfonylated-Pyrazolo[3,4-b]Pyridin-6-Carboxamides and Method of Use ABBVIE SARL (LU) 2019-10-31 US disclosed
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE SARL (LU) 2019-07-04 US disclosed
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use AbbVie S.à.r.l. (LU) 2019-04-16 US disclosed
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE GALAPAGOS SASU (FR) 2018-04-19 US disclosed
US-9890158-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use ABBVIE S.Á.R.L. (LU) 2018-02-13 US disclosed
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (10 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 ALDH1A1 3430/4885HPGD 1610/4885TSHR 299/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885HPGD 2022/4885TSHR 516/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R ALDH1A1 3319/4885HPGD 2022/4885TSHR 516/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885HPGD 2022/4885TSHR 516/4885
US-20190330207-A1 N-Sulfonylated-Pyrazolo[3,4-b]Pyridin-6-Carboxamides and Method of Use CFTR, CHRM3, P2RY1 ALDH1A1 3177/4885HPGD 1770/4885TSHR 230/4885
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 ALDH1A1 3001/4885HPGD 1702/4885TSHR 210/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ALDH1A1 3319/4885HPGD 2022/4885TSHR 516/4885
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, CHRM3, P2RY1 ALDH1A1 3177/4885HPGD 1770/4885TSHR 230/4885
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, P2RY1, P2RX5 ALDH1A1 3001/4885HPGD 1702/4885TSHR 210/4885
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 ALDH1A1 3001/4885HPGD 1702/4885TSHR 210/4885

“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.