SCHEMBL5580228

SCHEMBL5580228

NC(Cc1ccc2ccscc1-2)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
PKM P14618 2/20 0.41
HIF1A Q16665 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 2/20 0.41
RGS12 O14924 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
THPO P40225 1/20 0.41
CASP7 P55210 1/20 0.41
GNAI1 P63096 1/20 0.41

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
SCHEMBL5322816 0.88 KMT2A (0.41) KMT2AUSP2PKMHIF1AKDM4E
SCHEMBL5324715 0.85 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1CHEK2
SCHEMBL31631338 0.78 KMT2A (0.64) KMT2AUSP2PKMHIF1AKDM4E
SCHEMBL7610873 0.77 SLC7A5 (0.56) KMT2AUSP2PKMHIF1AKDM4E
SCHEMBL7610864 0.77 SLC7A5 (0.56) KMT2AUSP2PKMHIF1AKDM4E
SCHEMBL160633 0.74 SLC7A5 (0.58) USP2PKMHIF1AKDM4ECYP3A4
SCHEMBL160632 0.74 SLC7A5 (0.58) USP2PKMHIF1AKDM4ECYP3A4
SCHEMBL10074959 0.74 SLC7A5 (0.58) USP2PKMHIF1AKDM4ECYP3A4
SCHEMBL5322027 0.74 SLC1A3 (0.40) KMT2AUSP2MEN1MAPTALOX15
SCHEMBL6599324 0.73 ESR1 (0.41) KMT2AMEN1CHEK2

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 KMT2A 3586/4885USP2 3792/4885PKM 3848/4885

“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.