SCHEMBL1242016

SCHEMBL1242016

C=C(CN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.44
MMP2 P08253 4/20 0.44
MMP9 P14780 4/20 0.44
MMP8 P22894 4/20 0.44
MMP13 P45452 4/20 0.44
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL1242268 0.78 MMP1 (0.41) MMP1MMP2MMP9MMP8MMP13
SCHEMBL2377402 0.73 SSTR4 (0.40) MMP1MMP8MMP13ALDH1A1POLB
SCHEMBL6802678 0.72 BMP1 (0.46) MMP1MMP2MMP9MMP8MMP13
SCHEMBL2375482 0.71 LSS (0.37) MMP1MMP8MMP13ALDH1A1MEN1
SCHEMBL1242018 0.70 TBXA2R (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL19654740 0.69 MAPT (0.57) MMP1MMP2MMP9MMP8MMP13
SCHEMBL14062085 0.69 PKM (0.53) MMP1MMP2MMP9MMP8MMP13
SCHEMBL1242269 0.69 TBXA2R (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL1858049 0.68 ALDH1A1 (0.39) MMP1MMP2MMP9MMP8MMP13
SCHEMBL5878524 0.68 HDAC3 (0.41) ALDH1A1MEN1KMT2ALMNAMAPT

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-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 MMP1 982/4885MMP2 632/4885MMP9 921/4885

“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.