SCHEMBL14200054

SCHEMBL14200054

CC(=O)OCC(O)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.49
ADRB2 P07550 4/20 0.49
ADRB1 P08588 4/20 0.49
AOC3 Q16853 1/20 0.49
CYP2D6 P10635 2/20 0.47
NFKB1 P19838 1/20 0.47
HIF1A Q16665 1/20 0.47
BLM P54132 1/20 0.46
ALDH1A1 P00352 1/20 0.41
ADRB3 P13945 2/20 0.40
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CXCL8 P10145 1/20 0.37
NISCH Q9Y2I1 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
SCHEMBL13001768 1.00 CASP1 (0.49) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL14200056 1.00 CASP1 (0.49) CASP1ADRB2ADRB1AOC3CYP2D6
Carisbamate SCHEMBL2425732 0.83 AOC3 (0.49) CASP1ADRB2ADRB1AOC3CYP2D6
Carisbamate SCHEMBL729003 0.83 AOC3 (0.49) CASP1ADRB2ADRB1AOC3CYP2D6
Carisbamate SCHEMBL1037665 0.83 AOC3 (0.49) CASP1ADRB2ADRB1AOC3CYP2D6
Carisbamate SCHEMBL8741032 0.83 ADRB2 (0.49) CASP1ADRB2ADRB1AOC3CYP2D6
Carisbamate SCHEMBL8741086 0.83 ADRB2 (0.49) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL27830249 0.81 SMN1; SMN2 (0.44) CASP1ADRB2ADRB1ALDH1A1ADRB3
SCHEMBL8187818 0.81 CASP1 (0.43) CASP1ADRB2ADRB1AOC3CYP2D6
SCHEMBL8395836 0.81 CASP1 (0.43) CASP1ADRB2ADRB1AOC3CYP2D6

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
CN-103068383-A Methods for the treatment or prophylaxis of thrombosis or embolism IPCA LAB LTD 2013-04-24 CN disclosed
US-20080090903-A1 PHENYLALKYL CARBAMATE COMPOSITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-17 US 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-20080090903-A1 PHENYLALKYL CARBAMATE COMPOSITIONS CA2, PKD2, PKD1 CASP1 852/4885ADRB2 4400/4885ADRB1 4428/4885

“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.