SCHEMBL436599

SCHEMBL436599

CC(=O)C(CC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CES2 O00748 2/20 0.50
PDPK1 O15530 1/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
GPR139 Q6DWJ6 1/20 0.47
ACP3 P15309 2/20 0.47
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45

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
SCHEMBL435671 0.85 PDPK1 (0.64) MEN1KMT2ACES2PDPK1ALDH1A1
SCHEMBL435642 0.81 L3MBTL1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27750719 0.81 ACP3 (0.60) MEN1KMT2ACES2ALDH1A1SMN1; SMN2
SCHEMBL11103452 0.79 ACP3 (0.55) MEN1KMT2ACES2ALDH1A1SMN1; SMN2
SCHEMBL3674481 0.75 MEN1 (0.61) MEN1KMT2ACES2ALDH1A1SMN1; SMN2
SCHEMBL16781986 0.75 TDP1 (0.62) MEN1KMT2ACES2ALDH1A1GPR139
SCHEMBL3458826 0.74 CES2 (0.55) MEN1KMT2ACES2ALDH1A1SMN1; SMN2
SCHEMBL28423546 0.73 CES2 (0.60) MEN1KMT2ACES2ALDH1A1SMN1; SMN2
SCHEMBL6368429 0.73 CHRM2 (0.54) MEN1KMT2ACES2ALDH1A1SMN1; SMN2
SCHEMBL4748398 0.73 CES2 (0.51) MEN1KMT2ACES2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-03-15 US disclosed
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-08-26 US disclosed
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-08-26 US disclosed
US-7714022-B2 Pyrrole derivatives as therapeutic compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-7714022-B2 Pyrrole derivatives as therapeutic compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-10-08 US disclosed
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-10-08 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
WO-2008031034-A2 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-13 WO disclosed
WO-2007038684-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-04-05 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-20120065241-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B MEN1 4481/4885KMT2A 4737/4885CES2 1698/4885
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds APP, PSEN2, PSEN1 MEN1 4177/4885KMT2A 4198/4885CES2 4416/4885
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS APP, PSEN2, PSEN1 MEN1 4177/4885KMT2A 4198/4885CES2 4416/4885
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B MEN1 4481/4885KMT2A 4737/4885CES2 1698/4885

“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.