SCHEMBL7030671

SCHEMBL7030671

CCOC(=O)CCCSc1nc2ccccc2n1Cc1cccc2cccc(C)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.67
CTSG P08311 1/20 0.60
CMA1 P23946 1/20 0.60
AR P10275 3/20 0.49
PDPK1 O15530 2/20 0.47
ATM Q13315 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7035111 0.89 PTGDR2 (0.69) PTGDR2CTSGCMA1ARHTT
SCHEMBL4455217 0.89 CTSG (0.75) PTGDR2CTSGCMA1PDPK1ATM
SCHEMBL5266755 0.88 PTGDR2 (0.64) PTGDR2CTSGCMA1ARPDPK1
SCHEMBL14577952 0.81 PTGDR2 (0.67) PTGDR2CTSGCMA1ARHTT
SCHEMBL9681428 0.81 PTGDR2 (0.71) PTGDR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7036120 0.81 PTGDR2 (0.55) PTGDR2CTSGCMA1ARHTT
SCHEMBL9699191 0.81 PTGDR2 (0.66) PTGDR2CTSGCMA1ARL3MBTL1
SCHEMBL5109787 0.80 PTGDR2 (1.00) PTGDR2PDPK1ATMKMT2A
SCHEMBL7033870 0.79 PTGDR2 (0.54) PTGDR2CTSGCMA1ARHTT
SCHEMBL14577943 0.79 PTGDR2 (0.61) PTGDR2CTSGCMA1ARPDPK1

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.