SCHEMBL10047680

SCHEMBL10047680

COC(=O)CC[C@@H]1SC[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL10047677 0.93 TDP1 (0.41) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL10047699 0.93 TDP1 (0.41) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL10047709 0.89 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2HCRTR1
SCHEMBL10047690 0.86 MEN1 (0.43) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL10047691 0.79 NAAA (0.43)
SCHEMBL381757 0.76 TDP1 (0.42) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL16471799 0.73 TDP1 (0.48) ALDH1A1POLBMAPT
SCHEMBL903551 0.71 TDP1 (0.38) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL381481 0.71 TDP1 (0.51) KMT2AMEN1KDM4EHTTALDH1A1
SCHEMBL10047749 0.68 CYP3A4 (0.41) KMT2AMEN1KDM4EHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues UNIVERSITY OF NOTTINGHAM (GB) 2012-04-05 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 (1 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-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues BTD, URB2, RAET1L KMT2A 2622/4885MEN1 3602/4885KDM4E 2501/4885

“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.