SCHEMBL5863080

SCHEMBL5863080

CCOC(=O)c1ccc(-c2ccccc2CSCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ESR1 P03372 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ESR2 Q92731 1/20 0.44
CA14 Q9ULX7 1/20 0.44
F2RL3 Q96RI0 1/20 0.44
PDK2 Q15119 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL5863108 0.88 CYP4F2 (0.46) CA2SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL5863074 0.86 MAPT (0.50) F2RL3MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5863151 0.83 TSHR (0.51) PDK2MEN1KMT2ACYP1A2LMNA
SCHEMBL27617754 0.83 CA12 (0.47) CA12CA1CA2ESR1CA7
Hydrochloric Acid SCHEMBL7920197 0.81 CYP1A2 (0.51) CA12CA1CA2ESR1CA7
SCHEMBL5863054 0.81 CA2 (0.49) CA12CA1CA2ESR1CA7
SCHEMBL5863175 0.80 CA12 (0.50) CA12CA1CA2ESR1CA7
SCHEMBL5863075 0.78 BCL2 (0.49) CA12CA1CA2ESR1CA7
SCHEMBL5863068 0.77 TSHR (0.50) MEN1KMT2ACYP1A2LMNACYP3A4
SCHEMBL2008250 0.76 CA12 (0.56) CA12CA1CA2ESR1CA7

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-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US disclosed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP disclosed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 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-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R CA12 4483/4885CA1 4641/4885CA2 2525/4885

“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.