SCHEMBL1317704

SCHEMBL1317704

C[C@@H]1CC[C@H](C(=O)O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ HTR2C P28335 1/20 0.53
▸ PDK1 Q15118 1/20 0.52
▸ PDK2 Q15119 1/20 0.52
▸ PDK3 Q15120 1/20 0.52
▸ PDK4 Q16654 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP2C19 P33261 1/20 0.49
▸ CACNA1G O43497 1/20 0.46
▸ CACNA1H O95180 1/20 0.46
▸ CACNA1I Q9P0X4 1/20 0.46
▸ AGTR2 P50052 2/20 0.46

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
SCHEMBL1320776 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL14630640 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL1320076 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL2444107 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL10189895 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL10242881 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL12612998 0.91 HTR2C (0.52) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL12817613 0.90 HTR2C (0.51) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL12812139 0.90 HTR2C (0.51) SMN1; SMN2NPC1RAB9AHTR2CPDK1
SCHEMBL14630828 0.89 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 — — EP disclosed
EP-2688890-B1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-08-30 — — EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-9115133-B2 Substituted fused tricyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (US) 2015-08-25 — — US disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 — — EP disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 — — US disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 — — US disclosed
US-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD. 2014-01-23 — — US disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 — — US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 — — EP disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 — — US disclosed
WO-2011026904-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — WO disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 — — 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-20140023614-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF MALT1, JAK1, ICOS SMN1; SMN2 1512/4885NPC1 2332/4885RAB9A 3350/4885
US-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 SMN1; SMN2 4444/4885NPC1 2700/4885RAB9A 2582/4885
US-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 SMN1; SMN2 3846/4885NPC1 3286/4885RAB9A 1303/4885
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 SMN1; SMN2 2126/4885NPC1 1136/4885RAB9A 1502/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 SMN1; SMN2 2172/4885NPC1 852/4885RAB9A 1841/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 SMN1; SMN2 3577/4885NPC1 3341/4885RAB9A 1294/4885

“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.

Send feedback