SCHEMBL6480890

SCHEMBL6480890

COC(=O)c1ccc(S(C)(=O)=O)c(Cn2nnnc2C)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
SCHEMBL6490479 0.88 CCR1 (0.36) CCR1CCR2MAPK1ALDH1A1HPGD
SCHEMBL6489754 0.88 CCR1 (0.36) CCR1CCR2MAPK1HPGDCYP1A2
SCHEMBL6490242 0.86 ALDH1A1 (0.41) MAPK1ALDH1A1HPGDTSHRKMT2A
SCHEMBL6480430 0.85 P2RX7 (0.40) CCR1CCR2MAPK1ALDH1A1HPGD
SCHEMBL6481463 0.80 ENPP2 (0.36) ALDH1A1TSHRKMT2AKDM4EUSP2
SCHEMBL5182641 0.79 ALDH1A1 (0.46) MAPK1ALDH1A1HPGDTSHRKMT2A
SCHEMBL6492719 0.79 TP53 (0.39) MAPK1ALDH1A1HPGDTSHRKMT2A
SCHEMBL6479658 0.77 POLB (0.34) MAPK1ALDH1A1TSHRKDM4EHSD17B10
SCHEMBL5183494 0.77 MAPT (0.44) ALDH1A1HPGDTSHRKMT2AKDM4E
SCHEMBL29246879 0.76 CA2 (0.39) ALDH1A1HPGDTSHRKMT2AKDM4E

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-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 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-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 CCR1 1965/4885CCR2 1872/4885MAPK1 2914/4885

“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.