SCHEMBL309056

SCHEMBL309056

CC(C)(C)C[C@@H]1CN(C(=O)O)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.47
BRD2 P25440 4/20 0.47
GAA P10253 1/20 0.43
BRD3 Q15059 3/20 0.43
BRDT Q58F21 3/20 0.43
HSD11B1 P28845 7/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
MMP8 P22894 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
SCHEMBL309796 1.00 BRD4 (0.47) BRD4BRD2GAABRD3BRDT
SCHEMBL309348 0.86 MMP1 (0.45) HSD11B1CA1CA2CA4CA9
SCHEMBL308001 0.86 MMP1 (0.45) HSD11B1CA1CA2CA4CA9
SCHEMBL1430398 0.82 HSD11B1 (0.49) HSD11B1
SCHEMBL2170723 0.82 HSD11B1 (0.49) HSD11B1
SCHEMBL1736316 0.72 NR1H2 (0.52)
SCHEMBL2439382 0.72 MMP1 (0.59) BRD4GAAHSD11B1MMP8
SCHEMBL16431471 0.72 CA1 (0.57) GAACA1CA2CA4CA9
SCHEMBL4582127 0.72 FKBP1A (0.48) BRD4GAA
SCHEMBL5445749 0.72 CA1 (0.48) CA1CA2CA4CA9

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-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 US disclosed
US-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-06-02 US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 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 (3 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D BRD4 731/4885BRD2 319/4885GAA 3542/4885
US-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D BRD4 731/4885BRD2 319/4885GAA 3542/4885
US-20110130379-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CACNA1B, CACNA1C, CACNB2 BRD4 962/4885BRD2 467/4885GAA 3695/4885

“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.