Sugi Predict

Sugi Predict / Compounds / SCHEMBL66515

SCHEMBL66515

SCHEMBL66515

O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCC(S(=O)(=O)NCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ SCD O00767 3/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ FAAH O00519 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ RBP4 P02753 1/20 0.37

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
SCHEMBL57774 0.95 USP2 (0.44) USP2GAASCDKMT2AFAAH
SCHEMBL66082 0.84 ENPP2 (0.41) SCDKMT2AENPP2ALDH1A1HTT
SCHEMBL65756 0.83 ALDH1A1 (0.40) KMT2AENPP2SMN1; SMN2ALDH1A1
SCHEMBL65670 0.83 KDM4E (0.41) SCDENPP2ALDH1A1RBP4
SCHEMBL66074 0.80 ALDH1A1 (0.42) SCDENPP2SMN1; SMN2ALDH1A1
SCHEMBL55921 0.80 KDM4E (0.41) SCDKMT2AENPP2MEN1ALDH1A1
SCHEMBL57050 0.71 KMT2A (0.47) GAAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1091092 0.70 KDM4E (0.49) SMN1; SMN2ALDH1A1PPARGNR1H2NR1H3
SCHEMBL4609747 0.70 MEN1 (0.48) KMT2AFAAHMEN1
SCHEMBL56220 0.69 STS (0.56) KMT2ABCHEACHEMEN1LMNA

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
US-8129546-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 — — US disclosed
US-8129546-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 — — US disclosed
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 — — US disclosed
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 — — US disclosed
US-7842819-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-7842819-B2 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 — — US disclosed
US-20070203122-A1 Derivatives for modulation of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-08-30 — — 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-20070203122-A1 Derivatives for modulation of ion channels TRPV1, TRPA1, TRPV2 USP2 3396/4885GAA 3927/4885SCD 1540/4885
US-20110077269-A1 DERIVATIVES FOR MODULATION OF ION CHANNELS TRPV1, TRPA1, TRPV2 USP2 3396/4885GAA 3927/4885SCD 1540/4885

“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.