SCHEMBL5034018

SCHEMBL5034018

NCc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ PSIP1 O75475 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TDO2 P48775 1/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.42
▸ USP2 O75604 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL27839480 0.80 USP2 (0.61) CA1CA2CA9CA12CA4
SCHEMBL13729928 0.80 NAMPT (0.50) CA1CA2CA9CA12CA4
SCHEMBL159152 0.80 HSD11B1 (0.61) CA1CA2CA9CA12CA4
SCHEMBL6302757 0.77 USP2 (0.68) MAPTSMN1; SMN2USP2ALDH1A1MEN1
SCHEMBL18498824 0.77 ALDH1A1 (0.49) TDO2ALDH1A1MEN1POLBKMT2A
SCHEMBL18498840 0.77 ALDH1A1 (0.49) TDO2ALDH1A1MEN1POLBKMT2A
SCHEMBL159900 0.76 SMYD3 (0.45) CA1CA2CA9CA12CA4
SCHEMBL5018821 0.76 USP2 (0.71) SMN1; SMN2USP2ALDH1A1MEN1POLB
SCHEMBL25231648 0.73 NAMPT (0.46) SMN1; SMN2USP2ALDH1A1MEN1POLB
SCHEMBL15231957 0.73 POLB (0.67) SMN1; SMN2KDM4EUSP2ALDH1A1MEN1

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-20080124807-A1 Protein tagging reagents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-05-29 — — US disclosed
US-20080124807-A1 Protein tagging reagents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-05-29 — — US disclosed
US-20080124807-A1 Protein tagging reagents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-05-29 — — 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-20080124807-A1 Protein tagging reagents TH, TPH1, TPH2 CA1 4702/4885CA2 4674/4885CA9 4860/4885

“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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