SCHEMBL1242269

SCHEMBL1242269

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.36
ALOX5 P09917 1/20 0.36
CYP19A1 P11511 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
GRK2 P25098 1/20 0.35
S100A4 P26447 1/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 3/20 0.34
PTGS2 P35354 2/20 0.34
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1242018 0.86 TBXA2R (0.36) TBXA2RALOX5CYP19A1MEN1KMT2A
SCHEMBL2375482 0.79 LSS (0.37) MEN1KMT2AMMP1MMP8MMP13
SCHEMBL4718013 0.73 SSTR4 (0.43) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL2377402 0.72 SSTR4 (0.40) POLBMMP1MMP8MMP13ALDH1A1
SCHEMBL2375434 0.71 F2 (0.37) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL1242268 0.69 MMP1 (0.41) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL1242016 0.69 MMP1 (0.44) MEN1KMT2APOLBMMP1MMP2
SCHEMBL29940773 0.67 MEN1 (0.43) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL28350135 0.66 ALDH1A1 (0.40) KMT2APOLBCYP2C9ALDH1A1LMNA
SCHEMBL30877118 0.66 ALDH1A1 (0.51) ALOX5CYP2C9ALDH1A1LMNACYP1A2

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 2 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

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 TBXA2R 4570/4885ALOX5 1664/4885CYP19A1 3032/4885

“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.