SCHEMBL5637449

SCHEMBL5637449

Cc1ccc(S(=O)(=O)OCCOc2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.48
HTR1D P28221 1/20 0.48
SLC6A4 P31645 2/20 0.47
HRH1 P35367 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ESR1 P03372 1/20 0.46
GAA P10253 1/20 0.46
ESR2 Q92731 1/20 0.46
KCNA3 P22001 1/20 0.46

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
SCHEMBL12453521 0.82 L3MBTL1 (0.55) CA12CA1CA9MEN1KMT2A
SCHEMBL9369968 0.82 L3MBTL1 (0.52) CA12CA1CA9KDM4EALDH1A1
SCHEMBL1332113 0.81 L3MBTL1 (0.52) CA12CA1CA9MEN1KMT2A
SCHEMBL1928600 0.81 L3MBTL1 (0.49) CA12CA1CA9MEN1KMT2A
SCHEMBL1073454 0.80 MEN1 (0.68) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL29596281 0.80 NQO2 (0.47) CA12CA1CA9MEN1KMT2A
SCHEMBL5966612 0.80 NQO2 (0.47) CA12CA1CA9MEN1KMT2A
SCHEMBL26987755 0.80 ALDH1A1 (0.58) CA12CA1CA9MEN1KMT2A
SCHEMBL23412735 0.79 NCF1 (0.70)
SCHEMBL4654262 0.79 HTR1B (0.54) HTR1BHTR1DSLC6A4HRH1MEN1

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-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R HTR1B 192/4885HTR1D 472/4885SLC6A4 113/4885

“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.