SCHEMBL3175986

SCHEMBL3175986

CS(=O)(=O)N1CCc2cc(Br)ccc2C1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.68
ESR1 P03372 2/20 0.68
AKR1C3 P42330 2/20 0.54
KDM2B Q8NHM5 1/20 0.47
HRH3 Q9Y5N1 3/20 0.45
HSD17B3 P37058 2/20 0.43
CARM1 Q86X55 1/20 0.43
ABHD6 Q9BV23 1/20 0.42
CA7 P43166 1/20 0.42
HDAC1 Q13547 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1265874 0.94 ESR1 (0.59) ESR2ESR1AKR1C3KDM2BHRH3
SCHEMBL23589286 0.86 HDAC1 (0.51) ESR2ESR1AKR1C3HRH3HSD17B3
SCHEMBL38665856 0.85 AKR1C3 (0.55) ESR2ESR1AKR1C3HSD17B3CARM1
SCHEMBL22504152 0.85 AKR1C3 (0.55) ESR2ESR1AKR1C3HSD17B3CARM1
SCHEMBL13102503 0.82 ESR2 (0.69) ESR2ESR1AKR1C3KDM2BHRH3
SCHEMBL22469099 0.82 ESR1 (0.54) ESR2ESR1AKR1C3KDM2BHRH3
SCHEMBL31287276 0.82 ESR1 (0.54) ESR2ESR1AKR1C3KDM2BHRH3
SCHEMBL3185585 0.81 ESR2 (0.68) ESR2ESR1AKR1C3KDM2BHRH3
SCHEMBL3178018 0.81 ESR2 (1.00) ESR2ESR1AKR1C3KDM2BHRH3
SCHEMBL14116840 0.81 ESR2 (0.68) ESR2ESR1AKR1C3KDM2BHRH3

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 5 patents. 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
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 ESR2 218/4885ESR1 638/4885AKR1C3 1174/4885

“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.