SCHEMBL7104598

SCHEMBL7104598

Cc1cc(C(C)(C)C)c(N(CC(C)c2ccccn2)S(=O)(=O)OC(N)=O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.35
CYP2C19 P33261 1/20 0.34
KCNA5 P22460 1/20 0.34
CXCR4 P61073 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7108596 0.80 KEAP1 (0.34)
SCHEMBL7104597 0.77 KMT2A (0.39) KMT2AMEN1GAA
SCHEMBL7080971 0.72 PTGFR (0.37) IDH1CYP2C19KCNA5KMT2A
Hydrochloric Acid SCHEMBL7085518 0.72 PTGFR (0.36) IDH1CYP2C19KCNA5KMT2A
SCHEMBL7087009 0.70 TACR1 (0.38) KMT2AMEN1
SCHEMBL7107378 0.65 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL7336485 0.64 SMN1; SMN2 (0.47) CYP2C19KCNA5KMT2AMEN1GAA
SCHEMBL7649170 0.63 IDH1 (0.42) IDH1CYP2C19KMT2AMEN1GAA
SCHEMBL7105207 0.63 TSHR (0.42) GAA
SCHEMBL12836125 0.62 CYP3A4 (0.47) CYP2C19KCNA5KMT2AMEN1GAA

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 IDH1 2012/4885CYP2C19 1110/4885KCNA5 2810/4885

“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.