SCHEMBL790008

SCHEMBL790008

CC(C)(O)C(C)(C)OB(O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.43
CA1 P00915 13/20 0.40
CA12 O43570 11/20 0.40
CA9 Q16790 10/20 0.40
CA14 Q9ULX7 8/20 0.40
CA7 P43166 8/20 0.40
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
CA3 P07451 2/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
KCNJ8 Q15842 1/20 0.38
PDK4 Q16654 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 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
SCHEMBL17501064 0.86 ENPP2 (0.53)
SCHEMBL190203 0.84 CA2 (0.44) CA2CA1CA12CA9CA14
SCHEMBL1365908 0.82 ALDH1A1 (0.46) CA2CA1CA12CA9CA14
SCHEMBL17394036 0.82 LMNA (0.44) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL16734814 0.81 ALDH1A1 (0.44) CA2CA1CA12CA9ALDH1A1
SCHEMBL6609666 0.79 ALDH1A1 (0.43) CA2CA1CA12CA9CA14
SCHEMBL54815 0.78 MAPK1 (0.32) ALDH1A1TDP1
SCHEMBL19433226 0.78 CA2 (0.42) CA2CA1CA14CA7CA6
SCHEMBL16734881 0.76 GAA (0.52) ABCC9ABCC8KCNJ11PDK1PDK2
SCHEMBL3681691 0.76 CA2 (0.45) CA2CA1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003671-B JNK inhibitors, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2024-08-06 CN disclosed
US-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 US disclosed
CN-108026110-B Fused tricyclic compounds as protein kinase inhibitors 国家公共部门基金会卡洛斯三世国家癌症研究中心(F.S.P.CNIO) 2022-02-08 CN disclosed
EP-3341376-B1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION DEL SECTOR PUBLICO ESTATAL CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III F S P CNIO (ES) 2020-12-23 EP disclosed
EP-3080128-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 EP disclosed
US-10208056-B2 Condensed tricyclic compounds as protein kinase inhibitors Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2019-02-19 US disclosed
US-20180244687-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2018-08-30 US disclosed
EP-2714677-B1 PYRIDINE-AND PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-08-22 EP disclosed
EP-3341376-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundacion del Sector Publico Estatal Centro Nacional de Investigaciones Oncologicas Carlos III (F.S.P. CNIO) (ES) 2018-07-04 EP disclosed
EP-1565466-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 Merck & Co., Inc. (US) 2005-08-24 EP disclosed
US-6909002-B2 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. (US) 2005-06-21 US disclosed
WO-2004048377-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 MERCK & CO., INC. (US) 2004-06-10 WO disclosed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO disclosed
US-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 MERCK & CO., INC. 2004-05-27 US disclosed
EP-1397359-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-03-17 EP disclosed
US-6677351-B2 USEFUL IN TREATMENT OF ASTHMA AND INFLAMMATION MERCK FROSST CANADA & CO. (CA) 2004-01-13 US disclosed
US-20030096829-A1 1-biaryl-1,8-naphthyridin-4-one phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2003-05-22 US disclosed
WO-2002094823-A1 1-BIARYL-1,8-NAPTHYRIDIN-4-ONE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-11-28 WO disclosed
US-6420386-B1 SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. LES LABORATORIES SERVIER (FR) 2002-07-16 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 (5 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-20040102472-A1 Method of preparing inhibitors of phosphodiesterase-4 PDE4B, PDE4A, PDE5A CA2 544/4885CA1 2092/4885CA12 3189/4885
US-20030096829-A1 1-biaryl-1,8-naphthyridin-4-one phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE7A CA2 524/4885CA1 2774/4885CA12 4007/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 CA2 2766/4885CA1 4815/4885CA12 4852/4885
US-20180244687-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK8, CDK18, CDK2 CA2 3589/4885CA1 4093/4885CA12 4253/4885
US-10208056-B2 Condensed tricyclic compounds as protein kinase inhibitors CDK8, CDK18, CDK2 CA2 3589/4885CA1 4093/4885CA12 4253/4885

“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.