SCHEMBL4452976

SCHEMBL4452976

Cc1ccc(C)c(Cn2c(SCCCC(=O)O)nc3cc(C#N)ccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.49
CMA1 P23946 2/20 0.49
POLB P06746 1/20 0.48
CNR1 P21554 1/20 0.45
AR P10275 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
PDPK1 O15530 1/20 0.40
HCRTR1 O43613 1/20 0.40
TP53 P04637 1/20 0.40
TNF P01375 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4447502 0.84 CTSG (0.49) CTSGCMA1POLBARPTGDR2
SCHEMBL4451685 0.82 SLC12A2 (0.50) CTSGCMA1L3MBTL1PTGDR2HCRTR1
SCHEMBL5622354 0.79 CMA1 (0.58) CTSGCMA1L3MBTL1PTGDR2HCRTR1
SCHEMBL4452678 0.77 CTSG (0.49) CTSGCMA1POLBPDPK1HCRTR1
SCHEMBL7034397 0.74 PTGDR2 (0.53) CTSGCMA1ARPTGDR2TP53
SCHEMBL5621422 0.74 CMA1 (0.66) CTSGCMA1POLBARL3MBTL1
SCHEMBL5106157 0.73 PTGDR2 (0.71) POLBARPTGDR2PDPK1MEN1
SCHEMBL5622412 0.73 CTSG (0.57) CTSGCMA1POLBARL3MBTL1
SCHEMBL5623074 0.72 CTSG (0.59) CTSGCMA1POLBL3MBTL1PTGDR2
SCHEMBL7035261 0.71 POLB (0.46) POLBARL3MBTL1PTGDR2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
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 (2 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 CTSG 204/4885CMA1 1/4885POLB 2758/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CTSG 1249/4885CMA1 313/4885POLB 911/4885

“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.