SCHEMBL393269

SCHEMBL393269

O=S(=O)(CCCCl)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 2/20 0.55
CA14 Q9ULX7 2/20 0.55
ALDH1A1 P00352 1/20 0.54
CA1 P00915 2/20 0.52
KEAP1 Q14145 1/20 0.50
POLB P06746 1/20 0.44
CA9 Q16790 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.43
SLC12A2 P55011 1/20 0.43
SLC12A5 Q9H2X9 1/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6534021 0.85 CA12 (0.68) CA12CA2CA7CA14ALDH1A1
SCHEMBL27870560 0.82 CA2 (0.55) CA12CA2CA7CA14ALDH1A1
SCHEMBL195152 0.82 CA2 (0.55) CA12CA2CA7CA14ALDH1A1
SCHEMBL10680125 0.79 L3MBTL1 (0.55) CA12CA2CA7CA14ALDH1A1
SCHEMBL6055917 0.79 CA12 (0.52) CA12CA2CA7CA14ALDH1A1
SCHEMBL13770963 0.79 CA2 (0.53) CA12CA2CA7CA14ALDH1A1
SCHEMBL6831298 0.79 HTT (0.55) CA12CA2CA14ALDH1A1CA1
SCHEMBL24990593 0.78 CA12 (0.59) CA12CA2CA7CA14ALDH1A1
SCHEMBL11690253 0.78 CA12 (0.59) CA12CA2CA7CA14ALDH1A1
SCHEMBL6029240 0.78 CA12 (0.59) CA12CA2CA7CA14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224506-A Antiviral indoles ANGELETTI P IST RICHERCHE BIO 2013-07-31 CN disclosed
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
US-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-7781422-B2 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
CN-101563352-A Antiviral indoles ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-21 CN disclosed
US-20080153895-A1 Antiviral indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-06-26 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 (2 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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 CA12 4222/4885CA2 4792/4885CA7 4186/4885
US-20080153895-A1 Antiviral indoles IDO1, ZC3HAV1, YBX1 CA12 4420/4885CA2 4826/4885CA7 4335/4885

“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.