SCHEMBL1757699

SCHEMBL1757699

COc1ccc(-c2c(C)n(CC(=O)OC(C)(C)C)c3ccc(F)cc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.60
F2RL3 Q96RI0 4/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HK1 P19367 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL1758041 0.90 PTGDR2 (0.49) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL1758015 0.89 KDM4E (0.48) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL1757984 0.82 PTGDR2 (0.55) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL1757823 0.82 PTGDR2 (0.52) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL1758032 0.81 MAPT (0.52) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL1758338 0.80 PTGDR2 (0.50) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL1757924 0.79 PTGDR2 (0.53) PTGDR2F2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL1757545 0.78 KMT2A (0.47) PTGDR2F2RL3ALDH1A1LMNAMAPT
SCHEMBL1757937 0.77 PTGDR2 (0.46) PTGDR2CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL1757753 0.76 PTGDR2 (0.51) PTGDR2CYP2C9ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 PTGDR2 13/4885F2RL3 429/4885CYP1A2 879/4885

“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.