SCHEMBL2798571

SCHEMBL2798571

CCOC(=O)C(O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.43
ABCC1 P33527 1/20 0.43

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
SCHEMBL11831054 0.95 MAPT (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL13924144 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1GAALMNA
SCHEMBL13557323 0.85 MEN1 (0.47) SMN1; SMN2CYP1A2TSHRALDH1A1GAA
SCHEMBL1041533 0.83 MMP8 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL1626467 0.83 CA12 (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5209865 0.83 ESR1 (0.53) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL5209871 0.83 ESR1 (0.53) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL15917982 0.82 CASP1 (0.61) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL7796149 0.81 PSEN1 (0.50) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL982864 0.81 LMNA (0.55) SMN1; SMN2CYP1A2CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004108-B1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-10-18 EP disclosed
EP-3004112-B1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-08-30 EP disclosed
US-9714249-B2 Pyrazolo-pyrrolidin-4-one derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2017-07-25 US disclosed
US-9624247-B2 Pyrazolo-pyrrolidin-4-one derivatives as bet inhibitors and their use in the treatment of disease NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 US disclosed
US-20160102107-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-14 US disclosed
EP-3004112-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2016-04-13 EP disclosed
EP-3004108-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2016-04-13 EP disclosed
US-20160096843-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-07 US disclosed
CN-105246896-A Pyrazolo-pyrrolidin-4-one derivatives and their use in the treatment of disease NOVARTIS AG 2016-01-13 CN disclosed
WO-2014191911-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 WO disclosed
WO-2014191906-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 WO disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 US disclosed
US-7767811-B2 Kinetic resolutions of chiral 2- and 3-substituted carboxylic acids BRANDEIS UNIVERSITY (US) 2010-08-03 US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 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-20160096843-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BET1, BRD4, PHKB CA12 4240/4885CA1 4313/4885CA2 2355/4885
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CA12 3116/4885CA1 2800/4885CA2 1481/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CA12 3116/4885CA1 2800/4885CA2 1481/4885
US-20160102107-A1 PYRAZOLO-PYRROLIDIN-4-ONE DERIVATIVES AS BET INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE BET1, BRD4, PHKB CA12 4655/4885CA1 4397/4885CA2 2125/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CA12 3116/4885CA1 2800/4885CA2 1481/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 CA12 4526/4885CA1 4218/4885CA2 2417/4885

“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.