SCHEMBL1417552

SCHEMBL1417552

C[C@](Br)(C(=O)O)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KIF11 P52732 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.37
PDK1 Q15118 3/20 0.37
PDK2 Q15119 3/20 0.37
PDK3 Q15120 3/20 0.37
PDK4 Q16654 3/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1417550 1.00 KCNN4 (0.42) KCNN4ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL30501925 0.82 KCNN4 (0.44) KCNN4ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL785777 0.82 KCNN4 (0.44) KCNN4ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL22940 0.80 HTR2A (0.42) KCNN4ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL4838145 0.80 KCNN4 (0.42) KCNN4ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL24542 0.80 HTR2A (0.42) KCNN4ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL31560848 0.78 PDK1 (0.42) KCNN4ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL11139564 0.78 PDK1 (0.42) KCNN4ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL15125013 0.78 KCNN4 (0.41) KCNN4ALDH1A1L3MBTL1HTR2AHTR2C
SCHEMBL5436997 0.78 KCNN4 (0.50) KCNN4ALDH1A1L3MBTL1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087028-A1 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES ENZYTECH LTD. (KR) 2011-04-14 US disclosed
EP-2298777-A2 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES Enzytech, Ltd. (KR) 2011-03-23 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-20110087028-A1 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES PTGIS, PLA2G7, PTGIR KCNN4 2691/4885ALDH1A1 602/4885L3MBTL1 3398/4885

“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.