SCHEMBL16473570

SCHEMBL16473570

[N-]=[N+]=NCc1ccccc1S(=O)(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MCL1 Q07820 1/20 0.31
▸ TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL28575163 0.83 KAT2B (0.40) KAT2BMCL1
SCHEMBL28312340 0.77 KAT2B (0.47) KAT2BALDH1A1MCL1
SCHEMBL29849065 0.72 KAT2B (0.41) KAT2BALDH1A1MCL1
SCHEMBL17553821 0.72 KAT2B (0.45) KAT2BMCL1
SCHEMBL14911695 0.72 IDO1 (0.45) KAT2B
SCHEMBL19743373 0.72 KAT2B (0.41) KAT2BALDH1A1MCL1
SCHEMBL11254980 0.72 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1TRPV4
SCHEMBL10641975 0.71 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1TRPV4
SCHEMBL29800774 0.71 CTSB (0.52) ALDH1A1HSD17B10TDP1
SCHEMBL1073769 0.71 CTSB (0.52) ALDH1A1HSD17B10TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751844-B2 Precursor compound connected to solid support for manufacturing 18F radiopharmaceutical, method for manufacturing same, and application thereof FUTURECHEM CO., LTD. (KR) 2017-09-05 — — US disclosed
US-9751844-B2 Precursor compound connected to solid support for manufacturing 18F radiopharmaceutical, method for manufacturing same, and application thereof FUTURECHEM CO., LTD. (KR) 2017-09-05 — — US disclosed
US-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF FUTURECHEM CO., LTD. (KR) 2014-01-09 — — US disclosed
US-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF FUTURECHEM CO., LTD. (KR) 2014-01-09 — — 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-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF PFAS, RFT1, AFF1 KAT2B 1184/4885ALDH1A1 1861/4885HSD17B10 2874/4885

“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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