Sugi Predict

Sugi Predict / Compounds / SCHEMBL15801262

SCHEMBL15801262

SCHEMBL15801262

CC(C)c1ccc(OC[C@@H](O)CO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.56
▸ AR P10275 1/20 0.54
▸ MAPK1 P28482 3/20 0.52
▸ TSHR P16473 1/20 0.51
▸ LMNA P02545 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ AGTR1 P30556 1/20 0.46
▸ MAP4K4 O95819 1/20 0.45

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
SCHEMBL15801265 1.00 KMT2A (0.59) KMT2AMEN1ARMAPK1TSHR
SCHEMBL8541521 1.00 KMT2A (0.59) KMT2AMEN1ARMAPK1TSHR
SCHEMBL5018996 0.90 KMT2A (0.64) KMT2AMEN1MAPK1LMNAMAPT
SCHEMBL22681192 0.89 AR (0.72) KMT2AMEN1ARMAPK1TSHR
SCHEMBL6228324 0.86 AR (0.61) KMT2AMEN1ARMAPK1TSHR
SCHEMBL16342286 0.85 KMT2A (0.59) KMT2AMEN1MAPK1LMNAMAPT
SCHEMBL4547893 0.85 KMT2A (0.59) KMT2AMEN1MAPK1LMNAMAPT
SCHEMBL26326216 0.85 AR (0.53) KMT2AMEN1ARMAPK1TSHR
SCHEMBL31213834 0.85 AR (0.53) KMT2AMEN1ARMAPK1TSHR
SCHEMBL9598035 0.84 TSHR (0.51) KMT2AMEN1ARMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 — — US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 KMT2A 2425/4885MEN1 2956/4885AR 1645/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 KMT2A 2425/4885MEN1 2956/4885AR 1645/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 KMT2A 1990/4885MEN1 3774/4885AR 3846/4885

“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.