Sugi Predict

Sugi Predict / Compounds / SCHEMBL2626596

SCHEMBL2626596

SCHEMBL2626596

COC(=O)[C@H](CC(C)C)OS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 4/20 0.39
▸ MME P08473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CA12 O43570 5/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ CA7 P43166 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA1 P00915 2/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BIRC2 Q13490 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL31350661 1.00 CA14 (0.39) CA14MMEALDH1A1CA12CA9
SCHEMBL25414730 0.83 CA14 (0.34) CA14ALDH1A1CA12CA9CA7
SCHEMBL14484648 0.83 ALDH1A1 (0.37) ALDH1A1CA12CA9HPGDHSD17B10
SCHEMBL19970237 0.81 CA14 (0.33) CA14ALDH1A1CA12MEN1KMT2A
SCHEMBL12932471 0.80 CA1 (0.38) CA14ALDH1A1CA12CA9CA7
SCHEMBL14498311 0.80 LAP3 (0.43) MMEALDH1A1MEN1KMT2AFOLH1
SCHEMBL2327528 0.80 CA1 (0.38) CA14ALDH1A1CA12CA9CA7
SCHEMBL1741204 0.79 MME (0.39) CA14MMEALDH1A1CA12CA9
SCHEMBL1741205 0.79 MME (0.39) CA14MMEALDH1A1CA12CA9
SCHEMBL1576198 0.79 MME (0.39) CA14MMEALDH1A1CA12CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 — — US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 — — US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 — — US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 — — US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 — — US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 — — 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 CA14 3597/4885MME 1631/4885ALDH1A1 2795/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 CA14 3544/4885MME 3329/4885ALDH1A1 2531/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 CA14 4340/4885MME 3583/4885ALDH1A1 2251/4885

“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.