SCHEMBL4753944

SCHEMBL4753944

COC(=O)c1cccc(NC=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.52
KDM4E B2RXH2 6/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 4/20 0.46
ALOX15 P16050 2/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
GLA P06280 1/20 0.44
HSD17B10 Q99714 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CFTR P13569 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL2442267 0.84 KDM4E (0.65) KDM4EPOLBATMTSHRLMNA
SCHEMBL29483352 0.84 KDM4E (0.65) KDM4EPOLBATMTSHRLMNA
SCHEMBL28528095 0.83 KDM4E (0.62) KDM4EPOLBATMTSHRLMNA
SCHEMBL14475281 0.83 RXFP1 (0.43) CXCR2KDM4EPOLBLMNAMAPT
SCHEMBL14458133 0.83 RXFP1 (0.43) CXCR2KDM4EPOLBLMNAMAPT
SCHEMBL4297093 0.81 ALDH1A1 (0.51) CXCR2KDM4EPOLBLMNAMAPT
SCHEMBL8210808 0.81 KDM4E (0.70) CXCR2KDM4EPOLBATMTSHR
SCHEMBL1538293 0.80 TSHR (0.65) CXCR2KDM4EPOLBATMTSHR
SCHEMBL1765338 0.79 CXCR2 (0.50) CXCR2KDM4EPOLBTSHRLMNA
SCHEMBL31486082 0.79 CXCR2 (0.50) CXCR2KDM4EPOLBTSHRLMNA

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
WO-2008151306-A1 SYNTHESIS OF CYCLODEPSIPEPTIDE COMPOUNDS HAVING ANTINEOPLASTIC AND/OR ANTIMICROBIAL ACTIVITY ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-12-11 WO disclosed
WO-2008144549-A1 ORGANIC LIGHT EMITTING DEVICES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-11-27 WO disclosed
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal GAMMILL RONALD B (US) 2005-01-27 US disclosed
US-6821977-B2 SUBSTITUTED 1H-(INDOLE-2- CARBOXAMIDES AND 6H-THIENO(2,3-B)PYRROLE-5-CARBOXAMIDES USEFUL FOR INHIBITING GLYCOGEN PHOSPHORYLASE IN A MAMMAL PFIZER, INC. 2004-11-23 US disclosed
US-20030199553-A1 Antidiabetic agents GAMMILL RONALD B (US) 2003-10-23 US disclosed
WO-2003072570-A1 ANTIDIABETIC AGENTS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed
EP-1340500-A1 Antidiabetic agents Pfizer Products Inc. (US) 2003-09-03 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 (2 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-20030199553-A1 Antidiabetic agents GPR119, IRS1, INSR CXCR2 2679/4885KDM4E 4333/4885POLB 2239/4885
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal PYGM, PYGL, IRS1 CXCR2 3905/4885KDM4E 1273/4885POLB 1190/4885

“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.