SCHEMBL2909352

SCHEMBL2909352

CCCS(=O)(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 9/20 0.62
LMNA P02545 4/20 0.62
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
GLA P06280 1/20 0.46

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
SCHEMBL30576763 0.92 KDM4E (0.60) KDM4EALDH1A1LMNASMN1; SMN2GAA
SCHEMBL17054972 0.88 KDM4E (0.54) KDM4EALDH1A1LMNACYP1A2CYP2C9
SCHEMBL17054973 0.87 ALDH1A1 (0.53) KDM4EALDH1A1LMNACYP1A2CYP2C9
SCHEMBL3920311 0.86 KDM4E (0.47) KDM4EALDH1A1LMNACYP1A2CYP2C9
SCHEMBL17054975 0.85 KDM4E (0.49) KDM4EALDH1A1LMNACYP1A2CYP2C9
SCHEMBL3916832 0.84 KDM4E (0.49) KDM4EALDH1A1LMNAGAA
SCHEMBL2906362 0.83 KDM4E (0.60) KDM4EALDH1A1LMNACYP2C9SMN1; SMN2
SCHEMBL2342112 0.83 KDM4E (0.62) KDM4EALDH1A1LMNACYP1A2CYP2C9
SCHEMBL2913617 0.81 GAA (0.49) KDM4EALDH1A1LMNACYP1A2CYP2C9
SCHEMBL4994060 0.81 CHRNA7 (0.53) KDM4EALDH1A1LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940786-B1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LTD (GB) 2010-08-18 EP claimed
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US claimed
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 US disclosed
EP-1940786-B1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LTD (GB) 2010-08-18 EP disclosed
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US disclosed
EP-2038253-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2009-03-25 EP disclosed
WO-2008154601-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2008-12-18 WO disclosed
US-20080255105-A1 Biphenyl Derivatives and Their Use in Treating Hepatitis C ARROW THERAPEUTICS LIMITED (GB) 2008-10-16 US disclosed
EP-1940786-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2008-07-09 EP disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 WO disclosed
WO-2007031791-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-03-22 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 (3 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-20080255105-A1 Biphenyl Derivatives and Their Use in Treating Hepatitis C NR4A1, NR0B1, NR1H4 KDM4E 4293/4885ALDH1A1 441/4885LMNA 911/4885
US-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 KDM4E 1819/4885ALDH1A1 377/4885LMNA 910/4885
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE ACE, SARS1, ACE2 KDM4E 2823/4885ALDH1A1 1957/4885LMNA 1282/4885

“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.