SCHEMBL970081

SCHEMBL970081

O=C(NC(CO)CO)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
OGG1 O15527 1/20 0.57
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
GSK3B P49841 2/20 0.46
ROCK2 O75116 2/20 0.46
PRKACA P17612 2/20 0.46
IRAK1 P51617 2/20 0.46
PRKX P51817 2/20 0.46
ROCK1 Q13464 2/20 0.46
PRKG1 Q13976 2/20 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
SCHEMBL966936 0.90 HTT (0.58) MMP2CA12CA14OGG1ALDH1A1
SCHEMBL966937 0.90 HTT (0.58) MMP2CA12CA14OGG1ALDH1A1
SCHEMBL21241696 0.83 CA12 (0.56) MMP2CA12CA14OGG1ALDH1A1
SCHEMBL27822274 0.82 BLM (0.55) MMP2CA12CA14ALDH1A1LMNA
SCHEMBL7742685 0.82 MMP2 (0.70) MMP2CA12CA14OGG1ALDH1A1
SCHEMBL7742676 0.82 MMP2 (0.70) MMP2CA12CA14OGG1ALDH1A1
SCHEMBL14117674 0.81 NPC1 (0.51) MMP2ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL28453111 0.81 HTT (0.47) MMP2LMNAHTTGSK3BROCK2
SCHEMBL178377 0.81 MEN1 (0.59) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL30358364 0.81 HTT (0.40) MMP2CA12CA14ALDH1A1SMN1; SMN2

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-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 MMP2 1096/4885CA12 4053/4885CA14 4589/4885

“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.