SCHEMBL6639092

SCHEMBL6639092

COC(=O)CCC1CCCCC1NC(=O)c1c(C)noc1-c1c(F)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL6639096 1.00 POLB (0.42) POLBALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL6639165 0.92 POLB (0.43) POLBALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL6639161 0.92 POLB (0.43) POLBALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL6638701 0.88 ALDH1A1 (0.54) POLBALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL6642208 0.88 ALDH1A1 (0.54) POLBALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL6641221 0.88 ALDH1A1 (0.54) POLBALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL6639081 0.85 POLB (0.46) POLBALDH1A1HSD17B10MAPTKMT2A
SCHEMBL7509719 0.85 GHSR (0.45) POLBALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL6640162 0.79 ALDH1A1 (0.56) POLBALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL6638431 0.79 ALDH1A1 (0.56) POLBALDH1A1HSD17B10SMN1; SMN2MAPT

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 POLB 2053/4885ALDH1A1 208/4885HSD17B10 1572/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 POLB 2045/4885ALDH1A1 264/4885HSD17B10 1333/4885

“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.