SCHEMBL5255605

SCHEMBL5255605

CCC1CC(CC(=O)O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NR1H2 P55055 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ATM Q13315 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL19097289 0.90 ATM (0.43) SMN1; SMN2HSD17B10KDM4EPKMNR1H2
SCHEMBL26430591 0.86 NR1H2 (0.48) SMN1; SMN2HSD17B10KDM4EPKMNR1H2
SCHEMBL9201182 0.85 GAA (0.36) KDM4EATMALDH1A1
SCHEMBL17328081 0.83 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10KDM4EPKMNR1H2
SCHEMBL3171532 0.82 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10KDM4EPKMNR1H2
SCHEMBL21661431 0.82 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10KDM4EPKMNR1H2
SCHEMBL2462455 0.81 HSD17B10 (0.43) SMN1; SMN2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL17234607 0.81 HSD17B10 (0.43) SMN1; SMN2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL2462453 0.81 HSD17B10 (0.43) SMN1; SMN2HSD17B10CHRM2CHRM1CHRM3
SCHEMBL24121385 0.81 ATM (0.42) SMN1; SMN2HSD17B10CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 US disclosed
EP-0931078-B1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2006-11-15 EP disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
EP-1061076-A1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-20 EP disclosed
US-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 US disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
US-5965570-A PHARMACEUTICAL COMPOSITIONS FOR INHIBITING THE ABNORMAL GROWTH OF CELLS; ADMINISTERING TO INHIBIT TUMOR CELLS WHEREIN THE RAS PROTEIN IS ACTIVATED AS A RESULT OF ONCOGENIC MUTATION IN GENES OTHER THAN THE RAS GENE SCHERING CORPORATION (US) 1999-10-12 US disclosed
EP-0931078-A1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1999-07-28 EP disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
WO-1998011098-A1 NOVEL TRICYCLIC PIPERIDINYL COMPOUNDS USEFUL AS INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 1998-03-19 WO disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 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 (3 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 SMN1; SMN2 119/4885HSD17B10 4016/4885KDM4E 2571/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 SMN1; SMN2 2049/4885HSD17B10 4567/4885KDM4E 2562/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 SMN1; SMN2 119/4885HSD17B10 4017/4885KDM4E 2571/4885

“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.