SCHEMBL5638893

SCHEMBL5638893

O=C(O)CSCc1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
CYP2A6 P11509 3/20 0.53
CYP1A2 P05177 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
BCL2L1 Q07817 1/20 0.47
AGXT P21549 1/20 0.45
ADRB2 P07550 1/20 0.45
STK17B O94768 2/20 0.44
STK17A Q9UEE5 2/20 0.44
CAMKK1 Q8N5S9 1/20 0.44
AURKB Q96GD4 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL29534459 0.78 CYP2A6 (0.61) CYP2A6ASIC3LOXL2BCL2L1AGXT
SCHEMBL631264 0.78 CYP2A6 (0.61) CYP2A6ASIC3LOXL2BCL2L1AGXT
SCHEMBL4510014 0.76 CYP2A6 (0.58) SMN1; SMN2CYP2A6ASIC3LOXL2BCL2L1
SCHEMBL14499525 0.76 CYP1A2 (0.46) CYP2A6CYP1A2ASIC3LOXL2AGXT
SCHEMBL5451360 0.76 CYP2A6 (0.43) CYP2A6ASIC3LOXL2BCL2L1AGXT
SCHEMBL7242758 0.73 CYP2A6 (0.54) SMN1; SMN2CYP2A6CYP1A2ASIC3LOXL2
SCHEMBL6674653 0.72 CYP2A6 (0.58) CYP2A6ASIC3LOXL2BCL2L1AGXT
SCHEMBL16461209 0.72 CYP2A6 (0.58) CYP2A6CYP1A2ASIC3LOXL2BCL2L1
SCHEMBL11221971 0.72 CYP2A6 (0.58) CYP2A6ASIC3LOXL2BCL2L1AGXT
SCHEMBL28666644 0.71 CYP2A6 (0.56) SMN1; SMN2CYP2A6ASIC3LOXL2BCL2L1

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 SMN1; SMN2 4137/4885CYP2A6 424/4885CYP1A2 255/4885

“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.