SCHEMBL2187777

SCHEMBL2187777

C=CCn1cc(CC(=O)O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.59
PLK1 P53350 5/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
MCL1 Q07820 4/20 0.52
ALOX5 P09917 1/20 0.47
CREBBP Q92793 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
TBXAS1 P24557 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ICMT O60725 1/20 0.45

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
SCHEMBL28365667 0.87 CDC25A (0.62) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL18180209 0.86 CDC25A (0.63) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL28370205 0.85 CDC25A (0.67) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL28365737 0.84 CDC25A (0.69) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL27379311 0.83 PLA2G2A (0.49) CDC25AALOX5CNR1CNR2MEN1
SCHEMBL9449574 0.82 CDC25A (0.56) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL1520654 0.82 ALOX5 (0.52) ALDH1A1LMNAALOX5TBXAS1MEN1
SCHEMBL2187086 0.82 L3MBTL1 (0.44) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL3743075 0.81 CDC25A (0.70) CDC25APLK1ALDH1A1LMNAMCL1
SCHEMBL2051630 0.80 ALDH1A1 (0.80) CDC25APLK1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES ALLA CHEM, LLC. 2011-09-22 US claimed
WO-1991016360-A1 COMPOSITIONS CONTAINING ORGANIC-SOLUBLE XANTHENE DYE PHOTOINITIATORS OLIN CORPORATION (US) 1991-10-31 WO claimed
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 EP disclosed
US-8481587-B2 Substituted 2-(5-hydroxy-2-methyl-1H-indole-3-yl)acetic acids and ethers thereof and the use of same to treat viral diseases IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2013-07-09 US disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES ALLA CHEM, LLC. 2011-09-22 US disclosed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 EP disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
WO-1999016453-A1 METHOD FOR THE TREATMENT OF CYSTIC FIBROSIS ELI LILLY AND COMPANY (US) 1999-04-08 WO disclosed
WO-1999009978-A1 METHOD FOR TREATMENT OF NON-RHEUMATOID ATHRITIS ELI LILLY AND COMPANY (US) 1999-03-04 WO disclosed
EP-0620214-B1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors LILLY CO ELI (US) 1999-03-03 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
US-5578634-A SEPTIC SHOCK TREATMENT ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
EP-0620214-A1 1H-indole-3-acetic acid hydrazide sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed
US-5100928-A Toners for electrography, light sensitive coatings and films OLIN CORPORATION (US) 1992-03-31 US disclosed
WO-1991016360-A1 COMPOSITIONS CONTAINING ORGANIC-SOLUBLE XANTHENE DYE PHOTOINITIATORS OLIN CORPORATION (US) 1991-10-31 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 (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-20120108499-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 CDC25A 947/4885PLK1 918/4885ALDH1A1 4540/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 CDC25A 947/4885PLK1 918/4885ALDH1A1 4540/4885
US-20110230524-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1H-INDOLE-3-YL)ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES IDO1, TPH1, FOXM1 CDC25A 691/4885PLK1 4604/4885ALDH1A1 104/4885

“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.