SCHEMBL6489754

SCHEMBL6489754

Cc1nnnn1Cc1c(S(C)(=O)=O)ccc(C(=O)O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
MAPK1 P28482 1/20 0.34
P2RX7 Q99572 4/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 3/20 0.32
MYC P01106 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
SCHEMBL6490479 0.91 CCR1 (0.36) CCR1CCR2MAPK1P2RX7PTGDR2
SCHEMBL6480890 0.88 CCR1 (0.36) CCR1CCR2MAPK1P2RX7CYP1A2
SCHEMBL6492570 0.85 KMT2A (0.37) MAPK1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6494834 0.84 P2RX7 (0.42) CCR1CCR2MAPK1P2RX7CYP1A2
SCHEMBL6478972 0.79 MAPK1 (0.33) MAPK1CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL20010404 0.79 PTGDR2 (0.44) PTGDR2
SCHEMBL22317847 0.79 MAPT (0.46) LMNA
SCHEMBL6492930 0.79 ENPP2 (0.38) PTGDR2LMNAMYC
SCHEMBL5184240 0.78 ALDH1A1 (0.44) CYP1A2CYP2C9HPGDCYP2C19
SCHEMBL6480246 0.78 ALDH1A1 (0.34) MAPK1CYP1A2CYP2C9HPGDCYP2C19

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.