SCHEMBL4924151

SCHEMBL4924151

CCC(=O)c1cc(C)c(Cl)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
HMGCR P04035 1/20 0.33
HSD11B1 P28845 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MCL1 Q07820 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4930586 0.95 TSHR (0.36) TSHRCA12CA1CA2CA9
SCHEMBL4832804 0.89 HMGCR (0.36) LMNAHTTHMGCRHSD11B1DRD2
SCHEMBL14598733 0.85 HSD11B1 (0.41) TSHRCA12CA1CA2CA9
SCHEMBL3137679 0.80 PTGDR2 (0.42) TSHRLMNAHTTALDH1A1
SCHEMBL14270854 0.80 HSD11B1 (0.41) TSHRCA12CA1CA2CA9
SCHEMBL14065615 0.76 ABCB1 (0.45) TSHRMAPTDRD2DRD1DRD4
SCHEMBL14270838 0.73 HSD11B1 (0.45) TSHRHTTHSD11B1DRD2DRD1
SCHEMBL9080409 0.72 TSHR (0.43) TSHRCA12CA1CA2CA9
SCHEMBL4010734 0.71 HSD11B1 (0.41) MAPTHSD11B1NPC1RAB9A
SCHEMBL8894440 0.71 HMGCR (0.51) TSHRLMNAHMGCRNPC1ALDH1A1

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
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
WO-2008039418-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-04-03 WO disclosed
US-20080051430-A1 Acylated Piperidine Derivatives as Melanocortin 4-Receptor Agonists MERCK & CO., INC. 2008-02-28 US disclosed
US-20080051430-A1 Acylated Piperidine Derivatives as Melanocortin 4-Receptor Agonists MERCK & CO., INC. 2008-02-28 US disclosed
US-20080051430-A1 Acylated Piperidine Derivatives as Melanocortin 4-Receptor Agonists MERCK & CO., INC. 2008-02-28 US disclosed
EP-1773347-A4 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2007-09-05 EP disclosed
EP-1773347-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006019787-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2006-02-23 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 (2 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-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R TSHR 511/4885CA12 4742/4885CA1 4875/4885
US-20080051430-A1 Acylated Piperidine Derivatives as Melanocortin 4-Receptor Agonists MC4R, MC5R, MC3R TSHR 553/4885CA12 4874/4885CA1 4883/4885

“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.