Sugi Predict

Sugi Predict / Compounds / SCHEMBL308532

SCHEMBL308532

SCHEMBL308532

Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN[C@@H](C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ PRKCB P05771 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ PRKCH P24723 1/20 0.46
▸ PRKCI P41743 1/20 0.46
▸ PRKCE Q02156 1/20 0.46
▸ PRKCQ Q04759 1/20 0.46
▸ PRKCZ Q05513 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ PRKD1 Q15139 1/20 0.46
▸ TRPV4 Q9HBA0 2/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL14132639 1.00 EPHX2 (0.47) EPHX2CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL309731 0.91 IDH1 (0.49) EPHX2CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL309799 0.82 MEN1 (0.54) EPHX2CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL309236 0.82 MEN1 (0.54) EPHX2CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL12966137 0.81 CYP3A4 (0.45) EPHX2CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL1429944 0.80 CYP3A4 (0.46) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL2281704 0.80 CYP3A4 (0.46) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL308661 0.80 CYP3A4 (0.46) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL17303557 0.79 CYP3A4 (0.57) EPHX2CYP3A4CYP2D6NFKB1PRKD3
SCHEMBL10042198 0.76 ALDH1A1 (0.68) CYP3A4CYP2D6NFKB1PRKD3PRKCG

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 — — US disclosed
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 — — US disclosed
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 — — US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 — — US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 — — US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 — — US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 — — US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 — — US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 — — US disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 — — EP disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 — — US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 — — US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 — — US disclosed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 — — WO disclosed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 — — WO disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — US disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 — — WO disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 — — 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 (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 EPHX2 3915/4885CYP3A4 3167/4885CYP2D6 3736/4885
US-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D EPHX2 3915/4885CYP3A4 3167/4885CYP2D6 3736/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 EPHX2 4441/4885CYP3A4 3457/4885CYP2D6 3458/4885

“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.