SCHEMBL1242018

SCHEMBL1242018

C=CCN(C(=O)OC(C)(C)C)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
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
CYP19A1 P11511 2/20 0.34
APAF1 O14727 1/20 0.34
GRK2 P25098 1/20 0.34
S100A4 P26447 1/20 0.34
CASP6 P55212 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MAPT P10636 1/20 0.34
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
TDP1 Q9NUW8 1/20 0.34
PTGS2 P35354 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
SCHEMBL1242269 0.86 TBXA2R (0.36) TBXA2RALOX5KMT2APOLBMEN1
SCHEMBL1242016 0.70 MMP1 (0.44) KMT2APOLBMEN1MAPTMMP1
SCHEMBL31351726 0.69 TDP1 (0.38) ALOX5KMT2APOLBMEN1MAPT
SCHEMBL1242268 0.69 MMP1 (0.41) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL31679530 0.69 ALDH1A1 (0.48) ALOX5KMT2APOLBMEN1MAPT
SCHEMBL5708145 0.68 C5AR1 (0.49) KMT2AMEN1TDP1
SCHEMBL17497274 0.66 NR1D1 (0.53) KMT2AMEN1MAPTMMP1MMP2
SCHEMBL28350135 0.65 ALDH1A1 (0.40) KMT2APOLBMAPTLMNAPTGDR2
SCHEMBL2377402 0.65 SSTR4 (0.40) POLBMMP1MMP8MMP13
SCHEMBL3309773 0.65 ITGA4 (0.41) ALOX5MAPTMMP1MMP2MMP9

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 TBXA2R 4570/4885ALOX5 1664/4885KMT2A 3710/4885

“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.