SCHEMBL5640445

SCHEMBL5640445

O=C(O)CSCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.54
MMP13 P45452 1/20 0.54
TSHR P16473 2/20 0.47
CES1 P23141 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
FOLH1 Q04609 1/20 0.43
CYP2C19 P33261 1/20 0.43
PAM P19021 1/20 0.43
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL9640759 0.97 MMP12 (0.51) MMP12MMP13TSHRCES1ALDH1A1
SCHEMBL5636985 0.84 KDM1A (0.44) MMP12MMP13TSHRCES1ALDH1A1
SCHEMBL11300552 0.81 TSHR (0.58) TSHRALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL18534179 0.79 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2HTTFOLH1
SCHEMBL4574068 0.77 MMP12 (0.82) MMP12MMP13TSHRCES1ALDH1A1
SCHEMBL1200459 0.77 ALDH1A1 (0.54) MMP12MMP13ALDH1A1HTTCYP2C19
SCHEMBL8748240 0.77 TSHR (0.52) TSHRALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL25985784 0.76 TSHR (0.56) TSHRALDH1A1SMN1; SMN2HTTCYP2C19
SCHEMBL508419 0.76 TSHR (0.56) MMP12TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL8527471 0.76 MMP12 (0.58) MMP12MMP13TSHRCES1SMN1; SMN2

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 MMP12 983/4885MMP13 667/4885TSHR 195/4885

“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.