SCHEMBL13879378

SCHEMBL13879378

CC1(Cc2ccccc2)NC(=O)N(c2cccs2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 2/20 0.44
ELANE P08246 3/20 0.42
ATM Q13315 2/20 0.38
RORC P51449 1/20 0.37
CYP2C19 P33261 2/20 0.35
EGLN1 Q9GZT9 1/20 0.34
LMNA P02545 1/20 0.34
FPR2 P25090 2/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL11569756 0.80 ELANE (0.61) ITGALELANEATMCYP2C19LMNA
SCHEMBL13879502 0.74 ITGAL (0.61) ITGALELANELMNAITGB2ICAM1
SCHEMBL13879517 0.74 ITGAL (0.51) ITGALELANEATMRORCCYP2C19
SCHEMBL13879533 0.74 ITGAL (0.76) ITGALELANEATMITGB2ICAM1
SCHEMBL13879591 0.72 MGLL (0.47) ITGALELANELMNAALDH1A1
SCHEMBL13879551 0.72 ITGAL (0.62) ITGALELANEITGB2ICAM1AR
SCHEMBL13879409 0.72 ITGAL (0.49) ITGALELANEALDH1A1KDM4E
SCHEMBL13879447 0.71 ELANE (0.57) ELANEATMRORCCYP2C19LMNA
SCHEMBL13879421 0.70 ITGAL (0.50) ITGALELANEALDH1A1
SCHEMBL13879534 0.69 TSHR (0.51) ITGALELANEATMALDH1A1

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
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 ITGAL 4495/4885ELANE 364/4885ATM 4489/4885

“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.