Sugi Predict

Sugi Predict / Compounds / SCHEMBL4960916

SCHEMBL4960916

SCHEMBL4960916

N[N+](=O)c1c[c]cc(SCCCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TSHR P16473 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL4962109 0.80 CYP1A2 (0.58) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL4963360 0.77 MAPT (0.53) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL4960929 0.77 MAPT (0.53) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL5925311 0.76 TDP1 (0.38) CYP1A2CYP2C19RAB9ASMN1; SMN2GAA
SCHEMBL4960591 0.75 CYP2C19 (0.59) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL17266522 0.74 CYP1A2 (0.90) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL4960921 0.74 ALDH1A1 (0.50) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL9084215 0.73 CYP1A2 (0.88) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL8914866 0.73 CYP1A2 (0.88) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2
SCHEMBL8918661 0.70 CYP1A2 (0.62) CYP1A2CYP2C19CYP2D6RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879900-A2 SULFOXIMINE-PYRIMIDINE MACROCYCLES AND THE SALTS THEREOF, A PROCESS FOR MAKING THEM, AND THEIR PHARMACEUTICAL USE AGAINST CANCER Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-23 — — EP disclosed
US-20060252782-A1 Sulfoximine-macrocycle compounds and salts thereof, pharmaceutical compositions comprising said compounds, methods of preparing same and uses of same SCHERING AKTIENGESELLSCHAFT (DE) 2006-11-09 — — US disclosed
WO-2006108695-A2 SULFOXIMINE-PYRIMIDINE MACROCYCLES AND THE SALTS THEREOF , A PROCESS FOR MAKING THEM, AND THEIR PHARMACEUTICAL USE AGAINST CANCER BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-19 — — 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-20060252782-A1 Sulfoximine-macrocycle compounds and salts thereof, pharmaceutical compositions comprising said compounds, methods of preparing same and uses of same TEK, FLT1, TIE1 CYP1A2 1152/4885CYP2C19 1681/4885CYP2D6 2993/4885

“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.