SCHEMBL2822823

SCHEMBL2822823

OCc1cn(Cc2ccc(SC(F)(F)F)cc2)nn1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.62
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC1 Q13547 2/20 0.42
S1PR1 P21453 1/20 0.42
KDM1A O60341 2/20 0.42
HSP90AB1 P08238 4/20 0.41
PTPRZ1 P23471 2/20 0.41
PTPN1 P18031 1/20 0.41
CYP19A1 P11511 4/20 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
SCHEMBL2821391 0.81 NOTUM (0.68) NOTUMHDAC1S1PR1KDM1AHSP90AB1
SCHEMBL16206205 0.79 NOTUM (0.73) NOTUMHDAC1KDM1AHSP90AB1CYP19A1
SCHEMBL2819739 0.78 NOTUM (0.62) NOTUMHDAC1S1PR1HSP90AB1CYP19A1
SCHEMBL6980467 0.77 NOTUM (1.00) NOTUMHDAC1HSP90AB1CYP19A1
SCHEMBL3477949 0.77 KDR (0.46) NPC1RAB9AHSP90AB1PTPRZ1PTPN1
SCHEMBL12885309 0.76 NOTUM (0.73) NOTUMNPC1RAB9AHDAC1HSP90AB1
SCHEMBL2820182 0.76 NOTUM (0.73) NOTUMNPC1RAB9AHDAC1KDM1A
SCHEMBL2494737 0.76 NOTUM (0.73) NOTUMNPC1RAB9AHDAC1HSP90AB1
SCHEMBL2819423 0.75 NOTUM (0.68) NOTUMHDAC1HSP90AB1CYP19A1
SCHEMBL28863788 0.74 NOTUM (0.71) NOTUMNPC1RAB9AHSP90AB1CYP19A1

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 815/4885NPC1 366/4885RAB9A 4142/4885

“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.