SCHEMBL5808533

SCHEMBL5808533

CCOP(=O)(CC)C(Br)c1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL14010366 0.88 MAPT (0.43) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL5003839 0.77 CA12 (0.46) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL8472320 0.76 PDK1 (0.47) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL9503386 0.72 EPHX2 (0.48) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL14010410 0.72 MAPT (0.41) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL5809008 0.70 EPHX2 (0.51) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL13656125 0.70 TSHR (0.60) MAPTCA12CA1CA2CA9
SCHEMBL11097805 0.69 KIF11 (0.54) MAPTCYP1A2CYP2C9CYP2C19CA12
SCHEMBL5011680 0.68 CA12 (0.49) MAPTCYP1A2CYP2C9CYP2C19EPHX2
SCHEMBL28738749 0.68 LMNA (0.65) MAPTCYP1A2ALDH1A1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259520-B1 NOVEL PURINES ARIAD PHARMA INC (US) 2006-05-24 EP disclosed
US-20050096298-A1 Novel perines METCALF CHESTER A III (US) 2005-05-05 US disclosed
EP-1259520-A2 NOVEL PURINES ARIAD PHARMACEUTICALS, INC. (US) 2002-11-27 EP disclosed
US-20020132819-A1 Novel purinse ARIAD PHARMACETICALS, INC. 2002-09-19 US disclosed
WO-2001044260-A9 NOVEL PURINES ARIAD PHARMA INC (US) 2002-07-04 WO disclosed
WO-2001044260-A2 NOVEL PURINES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 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 (2 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-20050096298-A1 Novel perines PNP, ENTPD5, NT5C2 MAPT 4798/4885CYP1A2 4640/4885CYP2C9 4812/4885
US-20020132819-A1 Novel purinse PURB, NUDT15, NT5C2 MAPT 4769/4885CYP1A2 4737/4885CYP2C9 4775/4885

“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.