SCHEMBL435671

SCHEMBL435671

CC(=O)C(CC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.64
HSD11B1 P28845 1/20 0.49
LDHA P00338 2/20 0.48
LDHB P07195 2/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPN1 P18031 2/20 0.48
GSK3B P49841 2/20 0.47
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL436599 0.85 MEN1 (0.51) PDPK1ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL435642 0.85 L3MBTL1 (0.63) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL29110241 0.81 PDPK1 (0.58) PDPK1HSD11B1LDHALDHBALDH1A1
SCHEMBL8532315 0.79 PDPK1 (0.55) PDPK1HSD11B1LDHALDHBALDH1A1
SCHEMBL658661 0.78 PDPK1 (1.00) PDPK1HSD11B1LDHALDHBPTPN1
SCHEMBL658415 0.78 PDPK1 (0.66) PDPK1HSD11B1LDHALDHBMAPT
SCHEMBL2304585 0.77 ACP3 (0.56) PDPK1HSD11B1ALDH1A1PTPN1NR4A1
SCHEMBL13385708 0.76 PDPK1 (0.59) PDPK1HSD11B1LDHALDHBSMN1; SMN2
SCHEMBL18860300 0.75 PTPN1 (0.59) PDPK1HSD11B1ALDH1A1MAPTL3MBTL1
SCHEMBL19642328 0.75 PDPK1 (0.65) PDPK1HSD11B1ALDH1A1MAPTPTPN1

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 12 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

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 PDPK1 549/4885HSD11B1 4509/4885LDHA 3222/4885
US-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds APP, PSEN2, PSEN1 PDPK1 131/4885HSD11B1 3697/4885LDHA 3212/4885
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS APP, PSEN2, PSEN1 PDPK1 131/4885HSD11B1 3697/4885LDHA 3212/4885
US-20090253768-A1 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS NLN, SLC18A2, GOLT1B PDPK1 549/4885HSD11B1 4509/4885LDHA 3222/4885

“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.