SCHEMBL2819739

SCHEMBL2819739

OCc1cn(Cc2ccc(OC(F)(F)F)cc2)nn1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.62
CYP19A1 P11511 9/20 0.47
S1PR1 P21453 1/20 0.44
HSP90AB1 P08238 1/20 0.44
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
P2RX7 Q99572 1/20 0.43
AADAT Q8N5Z0 1/20 0.42

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
SCHEMBL2820279 0.82 NOTUM (0.69) NOTUMCYP19A1HSP90AB1HDAC1P2RX7
SCHEMBL2821391 0.81 NOTUM (0.68) NOTUMCYP19A1S1PR1HSP90AB1HDAC1
SCHEMBL13819978 0.80 ALDH1A1 (0.48) CYP19A1HSP90AB1ALDH1A1TSHRAADAT
SCHEMBL16206205 0.79 NOTUM (0.73) NOTUMCYP19A1HSP90AB1HDAC1
SCHEMBL2822823 0.78 NOTUM (0.62) NOTUMCYP19A1S1PR1HSP90AB1HDAC1
SCHEMBL6980467 0.77 NOTUM (1.00) NOTUMCYP19A1HSP90AB1HDAC1
SCHEMBL19211427 0.77 NOTUM (0.67) NOTUMP2RX7
SCHEMBL2821939 0.76 NOTUM (0.57) NOTUMCYP19A1S1PR1HSP90AB1HDAC1
SCHEMBL2820182 0.76 NOTUM (0.73) NOTUMCYP19A1HDAC1
SCHEMBL12885309 0.76 NOTUM (0.73) NOTUMCYP19A1HSP90AB1HDAC1

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
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG NOTUM 815/4885CYP19A1 296/4885S1PR1 626/4885

“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.