SCHEMBL1242007

SCHEMBL1242007

CC(C)(C)NC(=O)OS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HSP90AA1 P07900 1/20 0.48
POLB P06746 1/20 0.48
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.45
CA3 P07451 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA13 Q8N1Q1 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
MMP1 P03956 1/20 0.45

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
SCHEMBL28107383 0.78 CA1 (0.51) ALDH1A1F2PRSS1PRSS2PRSS3
SCHEMBL6311444 0.78 ALDH1A1 (0.55) ALDH1A1HSP90AA1POLBF2PRSS1
SCHEMBL1733955 0.77 MGLL (0.57) ALDH1A1KMT2ATBXA2RMEN1CYP3A4
SCHEMBL11853542 0.76 CA1 (0.55) ALDH1A1HSP90AA1POLBF2PRSS1
SCHEMBL15058772 0.75 ADRB2 (0.53) ALDH1A1POLBCA1CA2KMT2A
SCHEMBL31504508 0.74 ALOX5 (0.51) ALDH1A1HSP90AA1POLBF2PRSS1
SCHEMBL29169555 0.74 LMNA (0.47) ALDH1A1CA1CA2CA12CA3
Nitrobenzene SCHEMBL28333001 0.74 ALDH1A1 (0.52) ALDH1A1POLBKMT2ACYP2C19MEN1
SCHEMBL8604336 0.74 POLB (0.55) ALDH1A1HSP90AA1POLBF2PRSS1
SCHEMBL27548773 0.73 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1

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 ALDH1A1 3224/4885HSP90AA1 561/4885POLB 3310/4885

“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.