SCHEMBL4599868

SCHEMBL4599868

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MALT1 Q9UDY8 1/20 0.41
TPSAB1 Q15661 2/20 0.41
TPSD1 Q9BZJ3 2/20 0.41
TPSG1 Q9NRR2 2/20 0.41
CACNA1G O43497 2/20 0.39
DRD2 P14416 4/20 0.38
KCNA5 P22460 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
ACE P12821 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
IDO1 P14902 1/20 0.37
FOLH1 Q04609 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
SCHEMBL1637220 1.00 KMT2A (0.47) KMT2AMEN1GAAMALT1TPSAB1
SCHEMBL4600039 1.00 KMT2A (0.47) KMT2AMEN1GAAMALT1TPSAB1
SCHEMBL4599808 0.97 TPSAB1 (0.44) KMT2AMEN1GAAMALT1TPSAB1
SCHEMBL4600306 0.97 TPSAB1 (0.44) KMT2AMEN1GAAMALT1TPSAB1
SCHEMBL2292771 0.97 TPSAB1 (0.44) KMT2AMEN1GAAMALT1TPSAB1
SCHEMBL4600478 0.96 TPSAB1 (0.43) KMT2AMEN1GAAMALT1TPSAB1
SCHEMBL4612508 0.94 MALT1 (0.43) KMT2AMEN1GAAMALT1TPSAB1
SCHEMBL4717209 0.94 MALT1 (0.43) KMT2AMEN1GAAMALT1TPSAB1
SCHEMBL9933024 0.90 CXCR3 (0.45) JAK3BTK
SCHEMBL20543023 0.88 TPSAB1 (0.37) KMT2AMEN1GAAMALT1TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-05-25 US disclosed
EP-3423469-A1 NEW TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-01-09 EP disclosed
US-20180371016-A1 TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-12-27 US disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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 (4 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 KMT2A 3406/4885MEN1 4687/4885GAA 617/4885
US-11014963-B2 Trifluoromethylpropanamide derivatives as HTRA1 inhibitors HTRA1, HTR3E, HTR1F KMT2A 1252/4885MEN1 1631/4885GAA 4005/4885
US-20180371016-A1 TRIFLUOROMETHYLPROPANAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTR3E, HTR1F KMT2A 1252/4885MEN1 1631/4885GAA 4005/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH KMT2A 1805/4885MEN1 3230/4885GAA 139/4885

“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.