SCHEMBL12263286

SCHEMBL12263286

COC(=O)c1ccc(C(C)C)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 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
SCHEMBL25933744 0.88 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL3645994 0.87 DPP4 (0.48) CA1CA2CA12CA7CA9
SCHEMBL25333799 0.87 CA1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL12584012 0.87 DPP4 (0.48) CA1CA2CA12CA7CA9
SCHEMBL18284564 0.86 CA1 (0.49) CA1CA2CA12CA7CA9
SCHEMBL20049345 0.86 CA1 (0.49) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL12499480 0.85 DPP4 (0.47) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL29893402 0.85 DPP4 (0.47) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL14832516 0.85 DPP4 (0.47) CA1CA2CA12CA7CA9
SCHEMBL16741196 0.85 CA1 (0.47) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS MIDWESTERN UNIVERSITY 2021-04-01 US disclosed
US-10961211-B2 Isotopically-stabilized tetronimide compounds MIDWESTERN UNIVERSITY (US) 2021-03-30 US disclosed
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds MIDWESTERN UNIVERSITY 2020-08-20 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-05-07 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-9464088-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-10-11 US disclosed
WO-2015144799-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-01 WO disclosed
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8765734-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 US disclosed
US-20130096141-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2013-04-18 US disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US 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 (11 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-20130096141-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR139 CA1 4549/4885CA2 3699/4885CA12 4786/4885
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A CA1 4779/4885CA2 2260/4885CA12 4760/4885
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 CA1 4811/4885CA2 2945/4885CA12 4840/4885
US-10961211-B2 Isotopically-stabilized tetronimide compounds ASPH, BACE1, DNPEP CA1 294/4885CA2 2174/4885CA12 1470/4885
US-20200262804-A1 Isotopically-Stabilized Tetronimide Compounds ASPH, BACE1, DNPEP CA1 294/4885CA2 2174/4885CA12 1470/4885
US-20210094927-A1 ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS ASPH, BACE1, DNPEP CA1 294/4885CA2 2174/4885CA12 1470/4885
US-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors ROS1, NOX1, NOX5 CA1 3207/4885CA2 2712/4885CA12 4701/4885
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 CA1 4743/4885CA2 4307/4885CA12 4820/4885
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 CA1 4743/4885CA2 4307/4885CA12 4820/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 CA1 2735/4885CA2 2302/4885CA12 4171/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 CA1 2735/4885CA2 2302/4885CA12 4171/4885

“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.