SCHEMBL1398573

SCHEMBL1398573

CCc1ccc(C(Cl)C(=O)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.47
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 2/20 0.46
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PLK1 P53350 1/20 0.39
LMNA P02545 3/20 0.39

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
SCHEMBL6069972 0.85 TSHR (0.53) ATMTDP1TSHRMAPK1L3MBTL1
SCHEMBL268686 0.81 L3MBTL1 (0.46) ATMTDP1TSHRMAPK1L3MBTL1
SCHEMBL9577391 0.79 AKR1C3 (0.51) ATMTDP1TSHRMAPK1L3MBTL1
SCHEMBL1398802 0.79 LMNA (0.44) ALDH1A1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL10443246 0.78 CRHBP (0.54) ATMTDP1TSHRMAPK1L3MBTL1
SCHEMBL27367826 0.76 TDP1 (0.48) ATMTDP1TSHRMAPK1L3MBTL1
SCHEMBL5050305 0.76 CES2 (0.48) TDP1TSHRMAPK1L3MBTL1ALDH1A1
SCHEMBL1398583 0.75 HDAC3 (0.42) ATMALDH1A1KDM4EMEN1KMT2A
SCHEMBL11260217 0.74 L3MBTL1 (0.50) ATMTDP1TSHRMAPK1L3MBTL1
SCHEMBL9493331 0.72 SRC (0.54) ATMTDP1TSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ATM 4817/4885TDP1 4767/4885TSHR 143/4885

“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.