SCHEMBL3740573

SCHEMBL3740573

COc1ccc2c(Cl)c(CO)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.58
▸ PRNP P04156 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ PPARG P37231 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ MAPK10 P53779 1/20 0.58
▸ NCOA2 Q15596 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ MAPT P10636 7/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ DYRK1A Q13627 2/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL3741269 0.84 MAPK1 (0.55) MAPK1PRNPTSHRPPARGHTT
SCHEMBL7395437 0.79 STING1 (0.51) MAPK1PRNPTSHRPPARGHTT
SCHEMBL10855114 0.76 ASIC3 (0.40) MAPK1PRNPTSHRPPARGHTT
SCHEMBL3738095 0.76 BCKDK (0.55) TSHRHTTMAPTALDH1A1KDM4E
SCHEMBL18960346 0.75 RXFP1 (0.76) MAPK1PRNPTSHRPPARGHTT
SCHEMBL5453267 0.75 RXFP1 (0.76) MAPK1PRNPTSHRPPARGHTT
SCHEMBL3102501 0.75 RXFP1 (0.76) MAPK1PRNPTSHRPPARGHTT
SCHEMBL5584694 0.75 MAPK1 (0.70) MAPK1PRNPTSHRPPARGHTT
Ammonia Solution, Strong SCHEMBL28931345 0.74 RXFP1 (0.74) MAPK1PRNPTSHRPPARGHTT
SCHEMBL8412494 0.74 NPSR1 (0.74) MAPK1PRNPTSHRPPARGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 — — US disclosed
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 — — US disclosed
US-7834194-B2 Metabolic disorders; antidiabetic agents; hypoglycemic agents; obesity; hypotensive agents ELI LILLY AND COMPANY (US) 2010-11-16 — — US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 — — US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 — — US disclosed
US-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-08-28 — — US disclosed
EP-1830840-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-16 — — 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-20080207691-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD17B10 MAPK1 1542/4885PRNP 4881/4885TSHR 3964/4885

“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.

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