SCHEMBL4351509

SCHEMBL4351509

CCN(C(=O)C1CCC(C)CC1)c1cc(I)sc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.45
NR1I2 O75469 2/20 0.39
HTT P42858 1/20 0.34
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GBA1 P04062 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL4351506 1.00 CYP2E1 (0.45) CYP2E1NR1I2HTTTP53KDM4E
SCHEMBL2427730 0.87 CYP2E1 (0.35) CYP2E1NR1I2HTTTP53KDM4E
SCHEMBL2427732 0.87 CYP2E1 (0.35) CYP2E1NR1I2HTTTP53KDM4E
SCHEMBL14214808 0.81 CYP2E1 (0.42) CYP2E1NR1I2HTTKDM4EALDH1A1
SCHEMBL17472419 0.81 CYP2E1 (0.42) CYP2E1NR1I2HTTKDM4EALDH1A1
SCHEMBL4152499 0.81 NR1I2 (0.38) CYP2E1NR1I2
SCHEMBL4152502 0.81 NR1I2 (0.38) CYP2E1NR1I2
SCHEMBL14214916 0.79 CYP2E1 (0.47) CYP2E1NR1I2
SCHEMBL15005597 0.79 NR1I2 (0.42) CYP2E1NR1I2
SCHEMBL4346533 0.79 HTT (0.39) CYP2E1NR1I2HTTTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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 (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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 CYP2E1 118/4885NR1I2 766/4885HTT 3128/4885

“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.