SCHEMBL5223713

SCHEMBL5223713

COc1ccccc1-c1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
NR1I2 O75469 1/20 0.42
ITGB1 P05556 3/20 0.41
ITGA4 P13612 3/20 0.41
ITGB7 P26010 2/20 0.41
FFAR2 O15552 1/20 0.40
OXTR P30559 2/20 0.39
AVPR1A P37288 2/20 0.39
PDE4D Q08499 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SCN9A Q15858 1/20 0.38
GAA P10253 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL5198351 0.91 PRKCA (0.44) PRKCAMMP12NR1I2SCN9AGAA
SCHEMBL5934788 0.90 SCN9A (0.39) PRKCAMMP12NR1I2FFAR2PDE4D
SCHEMBL5434937 0.90 PTGS2 (0.46) PRKCAMMP12SMN1; SMN2SCN9AGAA
SCHEMBL5198409 0.90 GRIN2B (0.43) PRKCAMMP12NR1I2SCN9A
SCHEMBL5439046 0.90 PRKCA (0.44) PRKCAMMP12NR1I2SCN9A
SCHEMBL5197980 0.89 GRIN2B (0.43) PRKCAMMP12NR1I2SCN9AGAA
SCHEMBL5315052 0.89 PRKCA (0.39) PRKCAMMP12NR1I2SMN1; SMN2LMNA
SCHEMBL5198145 0.89 PRKCA (0.39) PRKCAMMP12NR1I2SCN9A
SCHEMBL5198176 0.89 GRIN1 (0.46) SMN1; SMN2SCN9AGAA
SCHEMBL5315686 0.88 PRKCA (0.42) PRKCAMMP12NR1I2OXTRAVPR1A

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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 PRKCA 4500/4885MMP12 4114/4885NR1I2 95/4885

“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.