SCHEMBL6027004

SCHEMBL6027004

Nc1nc2cc(S(=O)(=O)O)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MASP2 O00187 1/20 0.46
NUDT1 P36639 1/20 0.46
AOC3 Q16853 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PLAU P00749 1/20 0.45
HSD17B10 Q99714 3/20 0.43
FABP6 P51161 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CASP6 P55212 1/20 0.42
IDO1 P14902 1/20 0.42
TSHR P16473 2/20 0.41
NT5E P21589 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 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
SCHEMBL10969202 0.83 FABP6 (0.47) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL828238 0.83 HDAC6 (0.59) ALDH1A1MEN1KMT2AHDAC6HSD17B10
SCHEMBL1160168 0.80 HDAC6 (0.46) ALDH1A1MEN1KMT2AHDAC6HSD17B10
SCHEMBL4318643 0.80 HDAC6 (0.46) ALDH1A1MEN1KMT2AHDAC6HSD17B10
SCHEMBL4674386 0.80 HDAC6 (0.46) ALDH1A1MEN1KMT2AHDAC6HSD17B10
SCHEMBL21126954 0.80 CACNA1H (0.44) ALDH1A1MEN1KMT2AHDAC6HSD17B10
SCHEMBL28236381 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHDAC6HSD17B10
SCHEMBL10770660 0.79 LMNA (0.45) ALDH1A1KMT2AHDAC6HSD17B10ENPP2
Water SCHEMBL28362650 0.79 HDAC6 (0.44) ALDH1A1MEN1KMT2AHDAC6HSD17B10
SCHEMBL2817420 0.79 HDAC6 (0.44) ALDH1A1MEN1KMT2AHDAC6HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122559-B2 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US claimed
US-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-7981205-B2 Dye compound and ink containing dye compound CANON KABUSHIKI KAISHA (JP) 2011-07-19 US disclosed
US-20090293764-A1 DYE COMPOUND AND INK CONTAINING DYE COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-12-03 US disclosed
US-7122559-B2 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
US-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20040204412-A1 Phenylglycine derivatives useful as serine protease inhibitors F7, SERPINE1, HABP2 ALDH1A1 3767/4885MEN1 4047/4885KMT2A 1933/4885
US-20090293764-A1 DYE COMPOUND AND INK CONTAINING DYE COMPOUND RB1, CRKL, TYR ALDH1A1 170/4885MEN1 863/4885KMT2A 1444/4885

“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.