SCHEMBL2157047

SCHEMBL2157047

COc1cccc2c1cc(C)n2Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MTNR1A P48039 3/20 0.57
MTNR1B P49286 3/20 0.57
BRD4 O60885 1/20 0.53
CCR2 P41597 1/20 0.53
CYP19A1 P11511 1/20 0.49
KMT2A Q03164 4/20 0.48
PLA2G2A P14555 3/20 0.48
MEN1 O00255 1/20 0.48
NTRK1 P04629 1/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
P2RX4 Q99571 1/20 0.44

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
SCHEMBL2156783 0.92 CCR2 (0.52) MAPK1SMN1; SMN2MTNR1AMTNR1BBRD4
SCHEMBL2156788 0.91 DRD4 (0.50) MAPK1SMN1; SMN2MTNR1AMTNR1BBRD4
SCHEMBL2156760 0.89 CCR2 (0.51) MAPK1SMN1; SMN2MTNR1AMTNR1BBRD4
SCHEMBL3199231 0.86 MAPK1 (0.56) MAPK1SMN1; SMN2MTNR1AMTNR1BBRD4
SCHEMBL26473 0.83 MTNR1B (0.67) MAPK1SMN1; SMN2MTNR1AMTNR1BCCR2
SCHEMBL2156733 0.83 CCR2 (0.48) MAPK1SMN1; SMN2MTNR1AMTNR1BBRD4
SCHEMBL13485078 0.82 MAPK1 (0.52) MAPK1SMN1; SMN2MTNR1AMTNR1BCYP19A1
SCHEMBL6778354 0.82 MTNR1B (0.66) MTNR1AMTNR1BBRD4CCR2CYP19A1
SCHEMBL14529788 0.81 SMN1; SMN2 (0.65) MAPK1SMN1; SMN2BRD4CYP19A1KMT2A
SCHEMBL3203921 0.81 PLA2G2A (0.56) MAPK1SMN1; SMN2MTNR1AMTNR1BPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US claimed
EP-2341045-A1 [[3-(2-amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-11H-indol-4-yl]oxy]acetic acid (acyloxy)alkyl or ((alkoxycarbonyl)oxy)alkyl ester as SPLA2 inhibitor Eli Lilly and Company (US) 2011-07-06 EP disclosed
EP-1950200-A1 [[3-(2-amino-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-11H-indol-4-yl]oxy]acetic acid methyl ester as sPLA2 inhibitor ELI LILLY AND COMPANY (US) 2008-07-30 EP disclosed
EP-1073440-B1 sPLA 2 INHIBITOR ESTERS LILLY CO ELI (US) 2004-10-20 EP disclosed
US-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days LOH ANDREW (US) 2004-06-10 US disclosed
EP-1303262-A2 USE OF A SPLA2 INHIBITOR FOR THE TREATMENT OF SEPSIS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
US-6433001-B1 SEPTIC SHOCK, ALLERGIC RHINITIS, RHEUMATIC ARTHRITIS, ADULT RESPIRATORY DISTRESS SYNDROME, BRONCHIAL ASTHMA, TRAUMA, AND PANCREATITIS TREATMENT ELI LILLY AND COMPANY 2002-08-13 US disclosed
EP-1073440-A4 sPLA 2 INHIBITOR ESTER LILLY CO ELI (US) 2002-07-17 EP disclosed
EP-0675110-B1 1H-Indole-3-glyoxylamide sPLA2 inhibitors LILLY CO ELI (US) 2002-07-10 EP disclosed
EP-1197484-A2 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2002-04-17 EP disclosed
US-6274578-B1 ((3-(2-AMINO-1,2-DIOXOETHYL)-2-METHYL-1-(PHENYLMETHYL)-1H--IND OL-4-YL)OXY)ACETIC ACID N-MORPHOLINO ETHYL ESTER; RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-08-14 US disclosed
EP-1081135-A2 1H-indole-3-glyoxylamide spla2 inhibitors ELI LILLY AND COMPANY (US) 2001-03-07 EP disclosed
EP-1073440-A1 sPLA 2 INHIBITOR ESTERS ELI LILLY AND COMPANY (US) 2001-02-07 EP disclosed
US-6175021-B1 HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 (SPLA2); INHIBITS RELEASE OF ARACHIDONIC ACID TO TREAT SEPTIC SHOCK; ((3-(2-AMINO-1,2-DIOXOETHYL)-2-METHYL-1-(PHENYLMETHYL)-1H-INDOL-4 -YL)OXYLACETIC ACID, FOR EXAMPLE ELI LILLY AND COMPANY 2001-01-16 US disclosed
WO-1999056752-A1 sPLA2 INHIBITOR ESTER ELI LILLY AND COMPANY (US) 1999-11-11 WO disclosed
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5919810-A SEPTIC SHOCK ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5733923-A SECRETORY PANCREATIC PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed
US-5654326-A SEPTIC SHOCK; HUMAN NONPANCREATIC SECRETORY PHOSPHOLIPASE ELI LILLY AND COMPANY (US) 1997-08-05 US disclosed
EP-0675110-A1 1H-Indole-3-glyoxylamide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1995-10-04 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 (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-20040110825-A1 Administration of an enzyme inhibitor of human non-pancreatic scretory phospholipase A2 (sPLA2) if activity levels are high or on the rise; treating within 0-24 hours after first organ failure and continuing as necessary, i.e., 1-7 days PLA2G12A, PLA2G2E, PLA2G3 MAPK1 3651/4885SMN1; SMN2 674/4885MTNR1A 1292/4885

“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.