Sugi Predict

Sugi Predict / Compounds / SCHEMBL2866784

SCHEMBL2866784

SCHEMBL2866784

CC(=O)SCC(C)(C)C(=O)OCC(C)(C)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ABCC3 O15438 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ RARG P13631 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ NR1I3 Q14994 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL8282479 0.86 MEN1 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2877995 0.83 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2CTSS
SCHEMBL11553169 0.81 ALDH1A1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2CTSS
SCHEMBL2872872 0.80 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2CTSS
SCHEMBL8282647 0.79 MEN1 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL12975255 0.79 MEN1 (0.45) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL2188825 0.79 MEN1 (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5483049 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2CTSS
SCHEMBL18194777 0.76 MEN1 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL16846306 0.76 MEN1 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 — — EP disclosed
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 — — EP disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 — — US disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 — — US disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 — — US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 — — US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 — — US disclosed
EP-2120965-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES Novabay Pharmaceuticals, Inc. (US) 2009-11-25 — — EP disclosed
WO-2008083347-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. (US) 2008-07-10 — — 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 (1 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-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES DCTD, DDC, DAO MEN1 2339/4885KMT2A 1714/4885CYP1A2 1599/4885

“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.