SCHEMBL7104597

SCHEMBL7104597

Cc1cc(C(C)(C)C)c(N(C(C)Cc2ccccn2)S(=O)(=O)OC(N)=O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPRA P18433 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7104598 0.77 IDH1 (0.35) KMT2AMEN1GAA
SCHEMBL9423049 0.72 KMT2A (0.43) KMT2AMEN1ALDH1A1NPSR1CYP1A2
SCHEMBL7108596 0.70 KEAP1 (0.34)
SCHEMBL9422949 0.66 RBP4 (0.37) ALDH1A1NPSR1CYP1A2
SCHEMBL7107378 0.65 ALDH1A1 (0.34) ALDH1A1POLB
SCHEMBL7649166 0.63 SYK (0.47) KMT2AMEN1ALDH1A1NPSR1GAA
SCHEMBL9772 0.62 PTPRA (0.56) ALDH1A1CYP1A2MAPTPTPRAPOLB
SCHEMBL22421038 0.62 PTPRA (0.56) ALDH1A1CYP1A2MAPTPTPRAPOLB
SCHEMBL4249537 0.62 GRIN2D (0.53) KMT2AMEN1ALDH1A1NPSR1CYP1A2
SCHEMBL9707030 0.61

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-20030134898-A1 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production HOMAN REYNOLD (US) 2003-07-17 US claimed
EP-1281399-A2 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production WARNER-LAMBERT COMPANY (US) 2003-02-05 EP claimed
US-20030134898-A1 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production HOMAN REYNOLD (US) 2003-07-17 US disclosed
EP-1281399-A2 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production WARNER-LAMBERT COMPANY (US) 2003-02-05 EP 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-20030134898-A1 Dual inhibitors of wax ester and cholesteryl ester synthesis for inhibiting sebum production ACAT2, LCAT, SOAT1 KMT2A 641/4885MEN1 4856/4885ALDH1A1 412/4885

“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.