SCHEMBL6356972

SCHEMBL6356972

CC(=O)O[C@H](C)CCCCn1c(=O)c2[nH]c(COCc3ccccc3)nc2n(C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.45
ALDH1A1 P00352 3/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA1 P30542 3/20 0.41
ADORA2B P29275 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL6356975 0.89 PABPC1 (0.60) PABPC1ALDH1A1CYP2C19TSHRSMN1; SMN2
SCHEMBL6347294 0.88 PABPC1 (0.48) PABPC1ALDH1A1CYP2C19TSHRSMN1; SMN2
SCHEMBL6347297 0.88 PABPC1 (0.48) PABPC1ALDH1A1CYP2C19TSHRSMN1; SMN2
SCHEMBL6348685 0.83 ALDH1A1 (0.41) ALDH1A1CYP2C19TSHRADORA1ADORA2B
SCHEMBL6348689 0.83 ALDH1A1 (0.41) ALDH1A1CYP2C19TSHRADORA1ADORA2B
SCHEMBL6352844 0.83 ALDH1A1 (0.41) ALDH1A1CYP2C19TSHRADORA1ADORA2B
SCHEMBL4707211 0.79 GAA (0.40) ADORA1ADORA2BADORA2A
SCHEMBL4707209 0.79 GAA (0.40) ADORA1ADORA2BADORA2A
SCHEMBL4707005 0.77 ADORA1 (0.37) ALDH1A1CYP2C19TSHRADORA1
SCHEMBL4707001 0.77 ADORA1 (0.37) ALDH1A1CYP2C19TSHRADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171442-B1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS INC (US) 2005-12-07 EP disclosed
US-6878715-B1 Therapeutic compounds for inhibiting interleukin-12 signals and method for using same CELL THERAPEUTICS, INC. (US) 2005-04-12 US disclosed
US-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same CELL THERAPEUTICS, INC. (US) 2005-03-03 US disclosed
EP-1171442-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALLING INHIBITORS CELL THERAPEUTICS, INC. (US) 2002-01-16 EP disclosed
WO-2000061583-A1 XANTHINE DERIVATIVES AND ANALOGS AS CELL SIGNALING INHIBITORS CELL THERAPEUTICS, INC. (US) 2000-10-19 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-20050049262-A1 Therapeutic compounds for inhibiting interleukin-12 signaling and methods for using same IL2, CCR10, CCR1 PABPC1 3153/4885ALDH1A1 1906/4885CYP2C19 3347/4885

“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.