Sugi Predict

Sugi Predict / Compounds / SCHEMBL13362393

SCHEMBL13362393

SCHEMBL13362393

Cc1ccc(S(=O)(=O)O[C@@H]2COC(C)(C)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CA2 P00918 2/20 0.36
▸ VDR P11473 1/20 0.36
▸ STS P08842 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA6 P23280 1/20 0.35

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
SCHEMBL9205825 1.00 CYP2D6 (0.43) CYP2D6CYP1A2KMT2ASMN1; SMN2HTT
SCHEMBL1063303 1.00 CYP2D6 (0.43) CYP2D6CYP1A2KMT2ASMN1; SMN2HTT
SCHEMBL15506544 0.84 CYP2D6 (0.49) CYP2D6CYP1A2KMT2ASMN1; SMN2HTT
SCHEMBL4432332 0.82 CYP2D6 (0.49) CYP2D6CYP1A2KMT2ASMN1; SMN2GAA
SCHEMBL4432327 0.82 CYP2D6 (0.49) CYP2D6CYP1A2KMT2ASMN1; SMN2GAA
SCHEMBL31410080 0.82 CYP2D6 (0.49) CYP2D6CYP1A2KMT2ASMN1; SMN2GAA
SCHEMBL4433801 0.82 CYP2D6 (0.49) CYP2D6CYP1A2KMT2ASMN1; SMN2GAA
SCHEMBL562062 0.80 CA2 (0.58) CYP2D6KMT2ASMN1; SMN2HTTCYP3A4
SCHEMBL898388 0.80 CA2 (0.58) CYP2D6KMT2ASMN1; SMN2HTTCYP3A4
SCHEMBL411517 0.80 CA2 (0.58) CYP2D6KMT2ASMN1; SMN2HTTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 — — CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 — — CN disclosed
EP-2940016-A1 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2015-11-04 — — EP disclosed
US-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-06-25 — — US disclosed
US-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-06-25 — — US disclosed
WO-2010053471-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 — — WO disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — 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 (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-20150174098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CYP2D6 1127/4885CYP1A2 2202/4885KMT2A 4313/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 CYP2D6 945/4885CYP1A2 1231/4885KMT2A 4223/4885

“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.