SCHEMBL6135962

SCHEMBL6135962

CC(C)c1cc(-c2sc(NCCCN3CCOCC3)nc2-c2ccccc2)n[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.43
PTGS2 P35354 1/20 0.43
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 6/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV4 Q9HBA0 2/20 0.41
HTT P42858 2/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6133403 0.79 PTGS2 (0.47) ACP1PTGS2HIF1AKDM4EGAA
Hydrochloric Acid SCHEMBL6133420 0.79 PTGS2 (0.47) ACP1PTGS2HIF1AKDM4EGAA
SCHEMBL6133773 0.74 PTGS2 (0.48) ACP1PTGS2HIF1ATDP1ALDH1A1
SCHEMBL10594677 0.73 PTGS2 (0.64) ACP1PTGS2HIF1ATDP1ALDH1A1
Hydrochloric Acid SCHEMBL6133533 0.73 PTGS2 (0.48) ACP1PTGS2HIF1ATDP1ALDH1A1
SCHEMBL6828649 0.72 ALDH1A1 (0.49) PTGS2MAPTTRPV4ALDH1A1TSHR
Hydrochloric Acid SCHEMBL6134178 0.68 ALDH1A1 (0.47) PTGS2HIF1AKDM4ETRPV4HTT
SCHEMBL6828984 0.67 ALK (0.47) HIF1AKDM4EMAPTTRPV4ALDH1A1
SCHEMBL5543566 0.66 MAPK1 (0.52) ACP1HIF1AKDM4EGAAMAPT
SCHEMBL7695066 0.65 MERTK (0.51) ACP1HIF1AKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US 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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR ACP1 3058/4885PTGS2 1262/4885HIF1A 2631/4885

“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.