SCHEMBL3137679

SCHEMBL3137679

CCC(=O)c1cc(Cl)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 2/20 0.38
MRGPRX1 Q96LB2 2/20 0.38
GAA P10253 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRNA7 P36544 1/20 0.37

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
SCHEMBL3492576 0.85 KMT2A (0.46) PTGDR2MEN1KMT2ACYP1A2POLB
SCHEMBL3305731 0.84 MAPK1 (0.42) PTGDR2MEN1KMT2ACYP1A2POLB
SCHEMBL15826901 0.82 EPAS1 (0.49) MEN1KMT2ACYP1A2POLBCYP3A4
SCHEMBL28758200 0.80 ANO1 (0.45) MEN1KMT2ALMNATSHRALDH1A1
SCHEMBL14065615 0.80 ABCB1 (0.45) MEN1KMT2APOLBTSHRALDH1A1
SCHEMBL4924151 0.80 TSHR (0.34) LMNATSHRHTTALDH1A1
SCHEMBL4930586 0.80 TSHR (0.36) KMT2ALMNATSHRHTT
SCHEMBL4832804 0.79 HMGCR (0.36) PTGDR2LMNAHTTALDH1A1
SCHEMBL28334586 0.79 SLC6A2 (0.40) PTGDR2TSHR
SCHEMBL12603661 0.78 HTT (0.45) LMNAHTTALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610789-B1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2010-07-21 EP disclosed
EP-1610789-B1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2010-07-21 EP disclosed
EP-1610789-A4 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2008-02-27 EP disclosed
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 US disclosed
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 US disclosed
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 US disclosed
US-20060194780-A1 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2006-08-31 US disclosed
EP-1610789-A1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-01-04 EP disclosed
WO-2004087159-A1 BICYCLIC PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2004-10-14 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-20060194780-A1 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R PTGDR2 717/4885MEN1 2419/4885KMT2A 984/4885

“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.