SCHEMBL2117865

SCHEMBL2117865

CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 1/20 0.52
HSP90AA1 P07900 1/20 0.52
CRHBP P24387 1/20 0.52
KMT2A Q03164 1/20 0.52
CRHR2 Q13324 1/20 0.52
CSGALNACT1 Q8TDX6 1/20 0.47
MLYCD O95822 1/20 0.47
PPARD Q03181 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
USP30 Q70CQ3 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL21317626 0.86 POLB (0.45) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2177301 0.85 MAPT (0.52) KDM4EMAPTMEN1KMT2ACSGALNACT1
SCHEMBL6154640 0.85 KDM4E (0.42) KDM4EMAPTMEN1HSP90AA1CRHBP
SCHEMBL11972313 0.84 CA12 (0.53) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2294258 0.83 LMNA (0.54) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2180427 0.83 SMN1; SMN2 (0.58) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL892695 0.82 SMN1; SMN2 (0.58) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7997399 0.82 RAB9A (0.44) KDM4EMAPTHSP90AA1KMT2AALDH1A1
SCHEMBL11972337 0.82 RAB9A (0.57) KDM4EMAPTMEN1KMT2ACSGALNACT1
SCHEMBL11509779 0.80 PPARG (0.48) MAPTALDH1A1HPGDCYP1A2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
US-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 US disclosed
EP-2393788-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO disclosed
WO-2010089297-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 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-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, P2RX5 KDM4E 2324/4885MAPT 2215/4885MEN1 4795/4885
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT KDM4E 3647/4885MAPT 116/4885MEN1 3071/4885

“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.