SCHEMBL7033870

SCHEMBL7033870

CCOC(=O)CCCSc1nc2cc(F)c(F)cc2n1Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.54
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
AR P10275 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
SLC12A2 P55011 1/20 0.40
SLC12A5 Q9H2X9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GNRHR P30968 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL7036120 0.91 PTGDR2 (0.55) PTGDR2CTSGCMA1ARSMN1; SMN2
SCHEMBL7035111 0.88 PTGDR2 (0.69) PTGDR2CTSGCMA1ARSMN1; SMN2
SCHEMBL7028807 0.87 SLC12A2 (0.51) PTGDR2CTSGCMA1SMN1; SMN2ALDH1A1
SCHEMBL7034397 0.85 PTGDR2 (0.53) PTGDR2CTSGCMA1ARSMN1; SMN2
SCHEMBL4452536 0.80 CMA1 (0.56) PTGDR2CTSGCMA1SMN1; SMN2MAPT
SCHEMBL7030671 0.79 PTGDR2 (0.67) PTGDR2CTSGCMA1ARALDH1A1
SCHEMBL4450800 0.77 CTSG (0.49) PTGDR2CTSGCMA1ARKMT2A
SCHEMBL14577952 0.76 PTGDR2 (0.67) PTGDR2CTSGCMA1ARSMN1; SMN2
SCHEMBL4452004 0.75 CMA1 (0.51) PTGDR2CTSGCMA1ALDH1A1MAPT
SCHEMBL4307028 0.74 SLC12A2 (0.67) PTGDR2CTSGCMA1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083315-A1 Human chymase inhibitors TEIJIN LIMITED (JP) 2003-05-01 US disclosed
EP-1167360-A9 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-05-15 EP disclosed
EP-1167360-A1 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-01-02 EP 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-20030083315-A1 Human chymase inhibitors CMA1, CTRL, CPA4 PTGDR2 2898/4885CTSG 204/4885CMA1 1/4885

“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.