SCHEMBL3374629

SCHEMBL3374629

CCCCCOc1ccc(S(=O)(=O)NCCCCCN)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 7/20 0.55
PKM P14618 1/20 0.55
ADAMTS4 O75173 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP13 P45452 1/20 0.54
MMP14 P50281 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54
TSHR P16473 4/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA7 P43166 1/20 0.52
HTT P42858 4/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 1/20 0.52
HTR1A P08908 1/20 0.51

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
SCHEMBL991980 1.00 MEN1 (0.60) MEN1KMT2AALDH1A1PKMADAMTS4
SCHEMBL3369963 0.99 MEN1 (0.61) MEN1KMT2AALDH1A1PKMADAMTS4
SCHEMBL3372068 0.95 MEN1 (0.59) MEN1KMT2AALDH1A1PKMADAMTS4
Hydrochloric Acid SCHEMBL27202554 0.91 ADAMTS4 (0.55) MEN1KMT2AALDH1A1PKMADAMTS4
SCHEMBL990327 0.91 ADAMTS4 (0.58) MEN1KMT2AALDH1A1PKMADAMTS4
SCHEMBL9078385 0.90 MEN1 (0.63) MEN1KMT2AALDH1A1PKMADAMTS4
SCHEMBL991010 0.87 ADAMTS4 (0.52) MEN1KMT2AALDH1A1PKMADAMTS4
SCHEMBL6323398 0.82 ADAMTS4 (0.61) MEN1KMT2AALDH1A1PKMADAMTS4
SCHEMBL24069389 0.82 MEN1 (0.63) MEN1KMT2AALDH1A1PKMADAMTS4
SCHEMBL991824 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1PKMADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 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-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 MEN1 2517/4885KMT2A 556/4885ALDH1A1 3984/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 MEN1 3339/4885KMT2A 442/4885ALDH1A1 3237/4885

“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.