SCHEMBL5454033

SCHEMBL5454033

CC(NC1=NC(=O)C(C(C)C)S1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.40
PDE2A O00408 12/20 0.37
TEAD1 P28347 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL1605420 1.00 IDH1 (0.40) IDH1PDE2ATEAD1CNR1CNR2
SCHEMBL1605776 0.87 IDH1 (0.39) IDH1
SCHEMBL14429434 0.85 IDH1 (0.43) IDH1CNR1CNR2
SCHEMBL1606410 0.85 MAPKAPK2 (0.41) IDH1
SCHEMBL1606487 0.85 MAPKAPK2 (0.41) IDH1
SCHEMBL14429777 0.84 IDH1 (0.36) IDH1GPR139TRPV1
SCHEMBL14429779 0.84 IDH1 (0.36) IDH1GPR139TRPV1
SCHEMBL10249378 0.84 IDH1 (0.36) IDH1GPR139TRPV1
SCHEMBL10248170 0.84 IDH1 (0.36) IDH1GPR139TRPV1
SCHEMBL10249354 0.84 IDH1 (0.36) IDH1GPR139TRPV1

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-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 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-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 IDH1 191/4885PDE2A 1210/4885TEAD1 1526/4885

“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.