SCHEMBL7064778

SCHEMBL7064778

Nc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O.[KH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 3/20 0.57
CASP6 P55212 3/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NT5E P21589 3/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SENP2 Q9HC62 3/20 0.47
SUMO2 P61956 2/20 0.47
SUMO1 P63165 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
CTDSP1 Q9GZU7 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
SCHEMBL142003 0.98 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL153646 0.98 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28203178 0.96 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL142001 0.96 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL11116200 0.90 ALDH1A1 (0.56) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL10917582 0.90 ALDH1A1 (0.55) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL11015542 0.89 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1376733 0.88 GAA (0.53) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL10064161 0.86 KDM4E (0.66) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL7551133 0.86 GAA (0.52) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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
EP-1311301-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREPARATION THEREOF Bristol-Myers Squibb Pharma Company (US) 2003-05-21 EP disclosed
US-20020122768-A1 Stable radiopharmaceutical compositions and methods for preparation thereof LANTHEUS MEDICAL IMAGING, INC. 2002-09-05 US disclosed
WO-2002004030-A2 STABLE RADIOPHARMACEUTICAL COMPOSITIONS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 WO 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-20020122768-A1 Stable radiopharmaceutical compositions and methods for preparation thereof AHR, PAH, TYR ALDH1A1 932/4885HSD17B10 1538/4885CASP6 3910/4885

“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.