SCHEMBL3178811

SCHEMBL3178811

CS(=O)(=O)N1CCc2cc(C=CCCC3CCN(C(=O)O)CC3)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ KDM2B Q8NHM5 1/20 0.44
▸ HDAC1 Q13547 8/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ RORC P51449 1/20 0.35

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
SCHEMBL3178807 1.00 ESR2 (0.46) ESR2ESR1KDM2BHDAC1ALDH1A1
SCHEMBL3189272 0.88 ESR1 (0.43) ESR2ESR1KDM2BHDAC1
SCHEMBL3189285 0.88 ESR1 (0.43) ESR2ESR1KDM2BHDAC1
SCHEMBL3171912 0.79 ESR1 (0.43) ESR2ESR1KDM2BHDAC1ALDH1A1
SCHEMBL3171918 0.79 ESR1 (0.43) ESR2ESR1KDM2BHDAC1ALDH1A1
SCHEMBL3180546 0.78 MCHR1 (0.50) ESR2ESR1KDM2B
SCHEMBL3171074 0.77 ESR2 (0.43) ESR2ESR1KDM2BALDH1A1L3MBTL1
SCHEMBL3177468 0.77 ESR2 (0.43) ESR2ESR1KDM2BHDAC1ALDH1A1
SCHEMBL4600985 0.77 CCR2 (0.39) ALDH1A1L3MBTL1ITGB3ITGA2B
SCHEMBL4437656 0.76 ESR2 (0.46) ESR2ESR1KDM2BHDAC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 ESR2 218/4885ESR1 638/4885KDM2B 3211/4885

“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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