SCHEMBL17557158

SCHEMBL17557158

O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1Br

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.71
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ PKM P14618 2/20 0.54
▸ CA2 P00918 3/20 0.54
▸ CA12 O43570 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ MAPT P10636 3/20 0.53
▸ CA1 P00915 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ GAA P10253 3/20 0.50
▸ POLB P06746 1/20 0.49
▸ IL1RN P18510 1/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ ERAP1 Q9NZ08 1/20 0.49
▸ PGR P06401 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48

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
SCHEMBL28407772 0.90 FFAR4 (0.57) FFAR4ALDH1A1PKMCA2MAPT
SCHEMBL15647438 0.87 KMT2A (0.61) FFAR4ALDH1A1MEN1KMT2APKM
SCHEMBL9749511 0.83 FFAR4 (0.71) FFAR4ALDH1A1MEN1KMT2APKM
SCHEMBL6570574 0.83 ALDH1A1 (0.72) FFAR4ALDH1A1MEN1KMT2APKM
SCHEMBL8026293 0.83 FFAR4 (0.71) FFAR4ALDH1A1MEN1KMT2APKM
SCHEMBL10618991 0.83 FFAR4 (1.00) FFAR4ALDH1A1MEN1KMT2APKM
SCHEMBL4968417 0.83 FFAR4 (0.71) FFAR4ALDH1A1MEN1KMT2APKM
SCHEMBL9906419 0.81 FFAR4 (0.67) FFAR4ALDH1A1MEN1KMT2APKM
SCHEMBL10610753 0.80 MAPT (0.60) FFAR4ALDH1A1MEN1KMT2ACA2
SCHEMBL17978495 0.80 FFAR4 (0.66) FFAR4ALDH1A1MEN1KMT2ACA12

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-9884866-B2 Immunomodulators and immunomodulator conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-02-06 — — US disclosed
US-20160068533-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-03-10 — — 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-20160068533-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES CD40, CD47, FCGRT FFAR4 1402/4885ALDH1A1 197/4885MEN1 2185/4885

“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.

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