SCHEMBL502895

SCHEMBL502895

CC(=Cc1ccc(Br)cc1)C(=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.53
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
S1PR4 O95977 1/20 0.46
LMNA P02545 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPC1 O15118 1/20 0.38

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
SCHEMBL502894 1.00 AKR1C3 (0.53) AKR1C3MAPTKMT2ANPSR1MEN1
SCHEMBL126545 0.88 AKR1C3 (0.69) AKR1C3MAPTKMT2ANPSR1MEN1
SCHEMBL4216116 0.88 AKR1C3 (0.69) AKR1C3MAPTKMT2ANPSR1MEN1
SCHEMBL126544 0.88 AKR1C3 (0.69) AKR1C3MAPTKMT2ANPSR1MEN1
SCHEMBL4605744 0.83 AKR1C3 (0.76) AKR1C3KMT2AMEN1MAPK1TDP1
SCHEMBL4605738 0.83 AKR1C3 (0.76) AKR1C3KMT2AMEN1MAPK1TDP1
SCHEMBL502721 0.82 AKR1C3 (0.52) AKR1C3MAPTKMT2ANPSR1MEN1
SCHEMBL502496 0.82 CYP2C9 (0.59) AKR1C3MAPTKMT2AMEN1KDM4E
SCHEMBL4805932 0.82 AKR1C3 (0.62) AKR1C3MAPTKMT2ANPSR1MEN1
SCHEMBL10078746 0.82 AKR1C3 (0.52) AKR1C3POLBTDP1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3359541-B1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE OVERSEAS SARL (LU) 2020-08-05 EP disclosed
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
WO-2017060874-A1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE S.Á.R.L (LU) 2017-04-13 WO disclosed
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 WO disclosed
US-20080269201-A1 Azepane- or Azocane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-30 US disclosed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1937668-A1 OCTAHYDROPENTALENE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-07-02 EP disclosed
EP-1910339-A2 AZEPANE- OR AZOCANE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP disclosed
EP-1910301-A2 CYCLOALKANE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios del Dr. Esteve S.A. (ES) 2008-04-16 EP disclosed
US-20070073056-A1 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-29 US disclosed
WO-2007009723-A2 AZEPANE- OR AZOCANE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-25 WO disclosed
WO-2007009722-A1 OCTAHYDROPENTALENE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 WO disclosed
WO-2007009724-A2 CYCLOALKANE-SUBSTITUTED PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2007-01-25 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 (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-20070073056-A1 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments P2RX4, PIR, P2RY4 AKR1C3 2642/4885MAPT 1973/4885KMT2A 2939/4885
US-20080269201-A1 Azepane- or Azocane-Substituted Pyrazoline Derivatives, Their Preparation and Use as Medicaments AZI2, CYP3A43, ALPI AKR1C3 752/4885MAPT 3032/4885KMT2A 3816/4885
US-20190330207-A1 N-Sulfonylated-Pyrazolo[3,4-b]Pyridin-6-Carboxamides and Method of Use CFTR, CHRM3, P2RY1 AKR1C3 1842/4885MAPT 4876/4885KMT2A 4743/4885
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 AKR1C3 1517/4885MAPT 4879/4885KMT2A 4775/4885
US-10647717-B2 N-sulfonylated-pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, CHRM3, P2RY1 AKR1C3 1842/4885MAPT 4876/4885KMT2A 4743/4885
US-10259810-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use CFTR, P2RY1, P2RX5 AKR1C3 1517/4885MAPT 4879/4885KMT2A 4775/4885
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 AKR1C3 1517/4885MAPT 4879/4885KMT2A 4775/4885

“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.