SCHEMBL14340049

SCHEMBL14340049

S=C(SSC(=S)N1CCC1)N1CCC1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.88
FBP1 P09467 2/20 0.88
KDM4A O75164 1/20 0.88
PHGDH O43175 8/20 0.83
ALDH1A1 P00352 4/20 0.83
ALDH2 P05091 2/20 0.83
PDK1 Q15118 5/20 0.62
PDK2 Q15119 2/20 0.62
PDK3 Q15120 2/20 0.62
FAAH O00519 2/20 0.59
PIN1 Q13526 1/20 0.57
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
Bis(Pyrrolidinylthiocarbonyl)Disulfide SCHEMBL2237172 0.94 MGLL (1.00) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL3271164 0.91 MGLL (1.00) MGLLFBP1KDM4APHGDHALDH1A1
Bis(Piperidinylthiocarbonyl)Disulfide SCHEMBL139465 0.91 MGLL (1.00) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11811976 0.87 MGLL (0.77) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL1195559 0.83 MGLL (0.83) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL13668385 0.82 MGLL (0.79) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL10976857 0.80 MGLL (0.80) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL22910 0.80 MGLL (0.80) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL11825600 0.78 MGLL (0.71) MGLLFBP1KDM4APHGDHALDH1A1
SCHEMBL10887385 0.78 MGLL (0.76) MGLLFBP1KDM4APHGDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 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 (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-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 MGLL 2536/4885FBP1 4624/4885KDM4A 1189/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 MGLL 443/4885FBP1 2687/4885KDM4A 1797/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 MGLL 2536/4885FBP1 4624/4885KDM4A 1189/4885

“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.