SCHEMBL3890353

SCHEMBL3890353

CS(=O)(=O)OC1CCN(Cc2ccc(F)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
POLB P06746 1/20 0.45
ADRB2 P07550 1/20 0.45
TACR1 P25103 1/20 0.44
MLNR O43193 2/20 0.43
MGAT2 Q10469 1/20 0.43
MOGAT2 Q3SYC2 1/20 0.43
GRM2 Q14416 1/20 0.42

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
SCHEMBL3273941 0.86 SMN1; SMN2 (0.51) HRH3BCHEACHEBACE1
SCHEMBL608203 0.86 SMN1; SMN2 (0.51) HRH3BCHEACHEBACE1
SCHEMBL608204 0.86 SMN1; SMN2 (0.51) HRH3BCHEACHEBACE1
SCHEMBL6279418 0.81 ALDH1A1 (0.57) HRH3BCHEACHE
SCHEMBL5744278 0.80 HRH3 (0.59) HRH3BCHEACHE
SCHEMBL5745231 0.78 BCHE (0.58) HRH3BCHEACHE
SCHEMBL28497475 0.78 BCHE (0.58) HRH3BCHEACHE
SCHEMBL19209909 0.78 BCHE (0.58) HRH3BCHEACHE
SCHEMBL5184838 0.78 HRH3 (0.44) HRH3BCHE
SCHEMBL6796681 0.76 L3MBTL1 (0.49) HRH3

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-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 MORLEY ANDREW DAVID 2009-08-27 US disclosed
US-7553868-B2 Thiophene carboxamides as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-06-30 US disclosed
EP-1583756-B9 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2008-01-09 EP disclosed
EP-1583756-B1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2007-10-03 EP disclosed
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-05-25 US disclosed
EP-1583756-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 AstraZeneca AB (SE) 2005-10-12 EP disclosed
WO-2004063185-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SE) 2004-07-29 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-20090215829-A1 THIOPHENE CARBOXAMIDES AS INHIBITORS OF THE ENZYME IKK-2 RELA, NFKBIA, CSNK1E HRH3 2374/4885BCHE 1241/4885ACHE 519/4885
US-20060111431-A1 Thiophene carboxanmides as inhibitors of the enzyme ikk-2 RELA, NFKBIA, CHUK HRH3 2664/4885BCHE 1255/4885ACHE 568/4885

“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.