SCHEMBL268660

SCHEMBL268660

Cc1cccc(C[C@@H](N)[C@@H](O)Cc2ncccc2C(=O)NC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSL P07711 2/20 0.36
CTSV O60911 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MAPT P10636 2/20 0.36
LNPEP Q9UIQ6 1/20 0.36
NPC1 O15118 1/20 0.36
AHR P35869 1/20 0.36
RAB9A P51151 1/20 0.36
NR3C2 P08235 1/20 0.36
MMP13 P45452 1/20 0.35
P2RX7 Q99572 1/20 0.35
GAA P10253 1/20 0.35

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
Hydrochloric Acid SCHEMBL269972 0.99 ANO1 (0.43) ANO1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL270827 0.89 ANO1 (0.45) ANO1SMN1; SMN2KDM4EMAPTATM
SCHEMBL269454 0.89 ANO1 (0.45) ANO1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3986990 0.89 ANO1 (0.45) ANO1SMN1; SMN2KDM4EMAPTATM
SCHEMBL267817 0.87 CETP (0.44) ANO1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL268004 0.86 SMN1; SMN2 (0.41) ANO1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL269827 0.86 SMN1; SMN2 (0.41) ANO1SMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL268964 0.86 KDM4E (0.41) ANO1SMN1; SMN2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL268996 0.85 KDM4E (0.41) ANO1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL268754 0.85 ALOX5AP (0.39) ANO1SMN1; SMN2CAPN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 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 (1 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-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 ANO1 3344/4885SMN1; SMN2 4330/4885KDM4E 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.