SCHEMBL3558324

SCHEMBL3558324

CS(=O)(=O)N1CCN(C(C(=O)O)c2ccc(F)c(F)c2)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.49
HTT P42858 2/20 0.36
DPP4 P27487 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
AMY1A P0DUB6 1/20 0.36
PTPN1 P18031 1/20 0.36
HSD11B1 P28845 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GCK P35557 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
NPY5R Q15761 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3556189 0.77 MCHR1 (0.44) MCHR1TSHRHSD11B1CES2CES1
SCHEMBL3557183 0.76 MCHR1 (0.41) MCHR1HTTTSHRHSD11B1CES2
SCHEMBL3556231 0.70 HSD11B1 (0.41) DPP4TSHRHSD11B1CES2CES1
SCHEMBL30968942 0.66 CES2 (0.43) DPP4TSHRHSD11B1CES2CES1
SCHEMBL15342509 0.66 GCK (0.37) HTTTSHRALDH1A1GCKPRMT5
SCHEMBL4109495 0.64 GCK (0.62) ALDH1A1GCK
SCHEMBL3557174 0.64 CES2 (0.46) TSHRCES2CES1SMN1; SMN2MAPT
SCHEMBL3558729 0.64 LMNA (0.41) MCHR1TSHRALDH1A1MAPT
SCHEMBL3554695 0.63 CES2 (0.42) TSHRCES2CES1MAPT
SCHEMBL4513011 0.62 CES2 (0.50) TSHRCES2CES1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR MCHR1 1/4885HTT 607/4885DPP4 3487/4885

“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.