SCHEMBL6639409

SCHEMBL6639409

COc1cc(NC(=O)CC2CCC(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)C2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.61
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GHSR Q92847 2/20 0.48
HPGD P15428 2/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MET P08581 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
SCHEMBL6644347 1.00 PTGS2 (0.61) PTGS2POLBLMNAKDM4EGHSR
SCHEMBL6669624 0.96 PTGS2 (0.59) PTGS2POLBLMNAKDM4EGHSR
SCHEMBL6669630 0.96 PTGS2 (0.59) PTGS2POLBLMNAKDM4EGHSR
SCHEMBL6642522 0.86 SMN1; SMN2 (0.53) PTGS2POLBLMNAKDM4EGHSR
SCHEMBL6796390 0.86 PTGS2 (0.53) PTGS2POLBLMNAKDM4EGHSR
SCHEMBL6640564 0.86 POLB (0.46) PTGS2POLBLMNAKDM4EMAPT
SCHEMBL6790889 0.81 PTGS2 (0.61) PTGS2POLBLMNAKDM4EGHSR
SCHEMBL6642844 0.81 PTGS2 (0.59) PTGS2POLBLMNAKDM4EGHSR
SCHEMBL6642290 0.80 SMN1; SMN2 (0.55) POLBLMNAGHSRHPGDGLA
SCHEMBL6646245 0.79 SMN1; SMN2 (0.58) POLBLMNAKDM4EGHSRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 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 (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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 PTGS2 822/4885POLB 2053/4885LMNA 2547/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 PTGS2 877/4885POLB 2045/4885LMNA 2226/4885

“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.