SCHEMBL3616652

SCHEMBL3616652

CC(C)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.56
LIPG Q9Y5X9 12/20 0.56
F11 P03951 2/20 0.49
ESR2 Q92731 1/20 0.49
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL307949 0.82 LPL (0.48) LPLLIPGF11ESR2CA1
SCHEMBL15788103 0.81 LPL (0.61) LPLLIPGF11ESR2CA1
SCHEMBL21083991 0.80 CA1 (0.47) LPLLIPGF11ESR2CA1
SCHEMBL10267159 0.79 LPL (0.59) LPLLIPGF11ESR2CA1
SCHEMBL21197913 0.79 CA1 (0.55) LPLLIPGF11ESR2CA1
SCHEMBL24610333 0.78 LPL (0.67) LPLLIPGF11ESR2CA1
SCHEMBL21125772 0.78 GAA (0.46) LPLLIPGF11ESR2CA1
SCHEMBL21125773 0.78 GAA (0.46) LPLLIPGF11ESR2CA1
SCHEMBL648399 0.77 LIPG (0.61) LPLLIPGF11ESR2CA1
SCHEMBL552697 0.77 KCNH2 (0.38) LPLLIPGF11ESR2

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-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 ASTRAZENECA AB (SW) 2010-02-04 US disclosed
US-7572826-B2 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2009-08-11 US disclosed
US-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1583755-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZIME IKK-2 AstraZeneca AB (SE) 2005-10-12 EP disclosed
WO-2004063186-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZIME 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-20060058522-A1 Thiophene-carboxamide derivatives and their use as inhibitors of the enzyme ikk-2 NFKBIA, RELA, IKBKE LPL 3524/4885LIPG 2583/4885F11 3583/4885
US-20100029754-A1 THIOPHENE-CARBOXAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE ENZYME IKK-2 NFKBIA, RELA, IKBKE LPL 3524/4885LIPG 2583/4885F11 3583/4885

“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.