SCHEMBL5638591

SCHEMBL5638591

CC(C)(C)OC(=O)NCC=Cc1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
EGFR P00533 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTPN11 Q06124 1/20 0.40
XDH P47989 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TBXAS1 P24557 2/20 0.39

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
SCHEMBL14499624 1.00 MAPT (0.56) MAPTEGFRTDP1SMN1; SMN2TP53
SCHEMBL5638589 1.00 MAPT (0.56) MAPTEGFRTDP1SMN1; SMN2TP53
SCHEMBL5637685 0.88 MEN1 (0.48) MAPTEGFRTDP1KDM4ENPC1
SCHEMBL5637687 0.88 MEN1 (0.48) MAPTEGFRTDP1KDM4ENPC1
SCHEMBL14499623 0.88 MEN1 (0.48) MAPTEGFRTDP1KDM4ENPC1
SCHEMBL8467720 0.87 MAOB (0.49) EGFRNPC1RAB9APTPN11ALDH1A1
SCHEMBL5158237 0.87 MAOB (0.49) EGFRNPC1RAB9APTPN11ALDH1A1
SCHEMBL31022932 0.84 TTR (0.45) MAPTSMN1; SMN2NPC1RAB9APPARG
SCHEMBL30304485 0.83 CYP4F2 (0.42) MAPTEGFRTDP1SMN1; SMN2KDM4E
SCHEMBL30304368 0.82 NPC1 (0.40) MAPTEGFRSMN1; SMN2KDM4ENPC1

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 4 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-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 MAPT 2221/4885EGFR 4032/4885TDP1 2952/4885

“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.