SCHEMBL3415587

SCHEMBL3415587

CCCCCOc1ccc(S(=O)(=O)NCCC(N)CCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 5/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 7/20 0.49
KCNA5 P22460 1/20 0.48
KCNH2 Q12809 1/20 0.48
HTT P42858 5/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47

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
SCHEMBL3413212 0.86 MEN1 (0.53) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL3413215 0.84 ADAMTS4 (0.53) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL990327 0.83 ADAMTS4 (0.58) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL9078385 0.83 MEN1 (0.63) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL3372068 0.82 MEN1 (0.59) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL3369963 0.81 MEN1 (0.61) ADAMTS4MMP1MMP2MMP13MMP14
Hydrochloric Acid SCHEMBL27202554 0.81 ADAMTS4 (0.55) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL991980 0.80 MEN1 (0.60) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL3374629 0.80 MEN1 (0.60) ADAMTS4MMP1MMP2MMP13MMP14
SCHEMBL991010 0.78 ADAMTS4 (0.52) ADAMTS4MMP1MMP2MMP13MMP14

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-20100216699-A1 SEMI-SYNTHETIC GLYCOPEPTIDES HAVING ANTIBACTERIAL ACTIVITY LEAD THERAPEUTICS, INC. (US) 2010-08-26 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-20100216699-A1 SEMI-SYNTHETIC GLYCOPEPTIDES HAVING ANTIBACTERIAL ACTIVITY ASNS, ALG1, ALG8 ADAMTS4 1402/4885MMP1 3634/4885MMP2 1584/4885

“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.