SCHEMBL5063442

SCHEMBL5063442

O=C(O)c1ccc(OCCF)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
THRB P10828 2/20 0.47
THRA P10827 1/20 0.47
PLA2G2A P14555 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
PRKAB2 O43741 4/20 0.44
PRKAG1 P54619 4/20 0.44
PRKAA2 P54646 4/20 0.44
PRKAA1 Q13131 4/20 0.44
PRKAG3 Q9UGI9 4/20 0.44
PRKAG2 Q9UGJ0 4/20 0.44
PRKAB1 Q9Y478 4/20 0.44
PLA2G4A P47712 1/20 0.43
TSPO P30536 1/20 0.43
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL21818348 0.87 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KDM4ELMNAPRKAB2
SCHEMBL5063455 0.87 THRB (0.47) SMN1; SMN2THRBTHRAALDH1A1KDM4E
SCHEMBL4689621 0.86 PARP1 (0.46) SMN1; SMN2THRBTHRAALDH1A1KDM4E
SCHEMBL5068149 0.84 THRB (0.45) SMN1; SMN2THRBTHRAALDH1A1KDM4E
SCHEMBL1750089 0.84 THRB (0.60) TSHRTHRBTHRAPLA2G2A
SCHEMBL3417416 0.84 KMT2A (0.54) SMN1; SMN2TSHRCASP1THRBTHRA
SCHEMBL3904366 0.82 CA12 (0.52) TSHRPLA2G2AALDH1A1PLA2G4APOLB
SCHEMBL3417202 0.81 THRB (0.64) TSHRTHRBTHRAPLA2G2A
SCHEMBL29492898 0.81 THRB (0.64) TSHRTHRBTHRAPLA2G2A
SCHEMBL1994532 0.81 THRA (0.47) TSHRTHRBTHRAALDH1A1TSPO

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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 SMN1; SMN2 3056/4885TSHR 191/4885CASP1 3970/4885

“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.