SCHEMBL18523201

SCHEMBL18523201

CC(C)c1cc(S(=O)(=O)O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 4/20 0.44
GAA P10253 3/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
SERPINE1 P05121 3/20 0.43
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 3/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL4906903 0.86 GAA (0.52) ALDH1A1HSD17B10LMNAGAASERPINE1
SCHEMBL22908991 0.84 RORC (0.51) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL27602783 0.83 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNAGAASERPINE1
SCHEMBL13624547 0.81 FABP3 (0.44) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL15613397 0.81 GABRA1 (0.52) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL17417188 0.81 HTT (0.54) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL5150398 0.80 GAA (0.47) ALDH1A1LMNAGAAHSP90AA1HSP90AB1
SCHEMBL8365957 0.80 TYR (0.49) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL7978251 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4ELMNAGAA
SCHEMBL8496152 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334464-B1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING MASSACHUSETTS GEN HOSPITAL (US) 2024-04-10 EP disclosed
US-20210015948-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING THE GENERAL HOSPITAL CORPORATION 2021-01-21 US disclosed
US-10835623-B2 Manganese-based chelate conjugates for molecular MR imaging THE GENERAL HOSPITAL CORPORATION (US) 2020-11-17 US disclosed
US-20190001003-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING THE GENERAL HOSPITAL CORPORATION 2019-01-03 US disclosed
WO-2017027834-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2017-02-16 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 (3 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-20210015948-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING MPI, MAG, MNS1 ALDH1A1 4356/4885HSD17B10 4727/4885KDM4E 2716/4885
US-20190001003-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING MPI, MAG, MNS1 ALDH1A1 4356/4885HSD17B10 4727/4885KDM4E 2716/4885
US-10835623-B2 Manganese-based chelate conjugates for molecular MR imaging MPI, MAG, MNS1 ALDH1A1 4356/4885HSD17B10 4727/4885KDM4E 2716/4885

“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.