SCHEMBL4447502

SCHEMBL4447502

COc1ccc2c(c1)nc(SCCCC(=O)O)n2Cc1cc(C)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.49
CMA1 P23946 2/20 0.49
POLB P06746 3/20 0.49
TP53 P04637 2/20 0.46
AR P10275 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.45
HCRTR1 O43613 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
IDE P14735 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL7035261 0.88 POLB (0.46) POLBTP53ARCYP1A2CYP2E1
SCHEMBL5396779 0.85 CTSG (0.55) CTSGCMA1TP53ARCYP1A2
SCHEMBL4452976 0.84 CTSG (0.49) CTSGCMA1POLBTP53AR
SCHEMBL4452004 0.83 CMA1 (0.51) CTSGCMA1POLBTP53CYP1A2
SCHEMBL5622172 0.82 CMA1 (0.57) CTSGCMA1POLBTP53AR
SCHEMBL5410166 0.81 CTSG (0.77) CTSGCMA1POLBTP53AR
SCHEMBL5394415 0.80 CMA1 (0.61) CTSGCMA1POLBTP53CYP1A2
SCHEMBL5404405 0.78 CTSG (0.55) CTSGCMA1TP53ARCYP1A2
SCHEMBL5623768 0.78 CTSG (0.48) CTSGCMA1POLBTP53AR
SCHEMBL4452678 0.77 CTSG (0.49) CTSGCMA1POLBTP53HCRTR1

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-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 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-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.