SCHEMBL6637848

SCHEMBL6637848

CC(C)(C)OC1(C([NH])=O)CCCC(CSc2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
KMT2A Q03164 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
AGTR2 P50052 1/20 0.33
S1PR1 P21453 2/20 0.33
SGPL1 O95470 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
RECQL P46063 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL6932792 0.90 CTSL (0.36) CTSLCTSBCTSKKMT2ANPC1
SCHEMBL6643933 0.76 NR1H2 (0.31)
SCHEMBL4248138 0.68 KDM4E (0.60) KMT2AKDM4EMEN1SMN1; SMN2MAPT
SCHEMBL6932786 0.66 CTSL (0.39) CTSLCTSBCTSKKMT2ANPC1
SCHEMBL796552 0.65 KDM4E (0.57) KMT2AKDM4EMEN1SMN1; SMN2PKM
SCHEMBL384115 0.64 ACHE (0.40) KDM4EHPGDALDH1A1HSD17B10CYP1A2
SCHEMBL8890088 0.64 DRD2 (0.54) KDM4EPKM
SCHEMBL8890092 0.64 DRD2 (0.54) KDM4EPKM
SCHEMBL9023290 0.64 KDM4E (0.55) KDM4ESMN1; SMN2PKM
SCHEMBL5548792 0.63 KDM1A (0.52) KMT2ANPC1RAB9AHPGDTSHR

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 5 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-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 (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-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 CTSL 1878/4885CTSB 1142/4885CTSK 1592/4885

“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.