SCHEMBL3022611

SCHEMBL3022611

O=C(CC(c1ccccc1)C1SCCCS1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4C Q9H3R0 1/20 0.52
HPGD P15428 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
FAAH O00519 2/20 0.47
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PDPK1 O15530 1/20 0.39

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
SCHEMBL17065505 0.79 FFAR1 (0.53) ALDH1A1KDM4CCYP1A2CYP2C19FAAH
SCHEMBL10301465 0.77 ALDH1A1 (0.48) ALDH1A1KDM4CHPGDMAPK1CYP1A2
SCHEMBL1545706 0.76 FAAH (0.41) FAAHTSHRKMT2AMEN1CYP3A4
SCHEMBL6228969 0.73 MAPT (0.49) ALDH1A1HPGDMAPK1CYP1A2CYP2C9
SCHEMBL28926384 0.72 HPGD (0.49) ALDH1A1KDM4CHPGDMAPK1CYP1A2
SCHEMBL15078047 0.72 ALDH1A1 (0.72) ALDH1A1KDM4CHPGDMAPK1CYP1A2
SCHEMBL28926378 0.72 HPGD (0.49) ALDH1A1KDM4CHPGDMAPK1CYP1A2
SCHEMBL28926382 0.72 HPGD (0.49) ALDH1A1KDM4CHPGDMAPK1CYP1A2
SCHEMBL16187787 0.71 ALDH1A1 (0.78) ALDH1A1KDM4CHPGDMAPK1CYP1A2
SCHEMBL4389396 0.71 ALDH1A1 (0.78) ALDH1A1KDM4CHPGDMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
EP-1928827-B1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS INC (US) 2012-08-22 EP disclosed
US-8217073-B2 Pyrrole derivatives as therapeutic compounds MYREXIS, INC. (US) 2012-07-10 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-7714022-B2 Pyrrole derivatives as therapeutic compounds MYRIAD PHARMACEUTICALS, INC. (US) 2010-05-11 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
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
EP-1928827-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2008-06-11 EP disclosed
WO-2007038684-A2 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-04-05 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 (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-20100216862-A1 Pyrrole Derivatives As Therapeutic Compounds APP, PSEN2, PSEN1 ALDH1A1 4389/4885KDM4C 4758/4885HPGD 963/4885
US-20080249158-A1 PYRROLE DERIVATIVES AS THERAPEUTIC COMPOUNDS APP, PSEN2, PSEN1 ALDH1A1 4389/4885KDM4C 4758/4885HPGD 963/4885

“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.