SCHEMBL12515611

SCHEMBL12515611

Cc1ccc(/C=N/S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 6/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 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
SCHEMBL10073001 0.79 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL29524908 0.79 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL15975333 0.77 ALDH1A1 (0.49) KMT2AALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL16802981 0.75 ALDH1A1 (0.62) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL8854319 0.75 ALDH1A1 (0.62) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL8854323 0.75 ALDH1A1 (0.62) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL8884645 0.74 KMT2A (0.77) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL16802983 0.73 ALDH1A1 (0.78) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL307938 0.73 ALDH1A1 (0.78) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL10073012 0.73 ALDH1A1 (0.78) F2PRSS1PRSS2PRSS3KMT2A

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-8815935-B2 Inhibitors of protein prenyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-25 US disclosed
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 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-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB F2 4053/4885PRSS1 1339/4885PRSS2 2116/4885
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB F2 4053/4885PRSS1 1339/4885PRSS2 2116/4885

“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.