SCHEMBL21165952

SCHEMBL21165952

Cc1csc(-c2nc(NC3CCC(F)(F)CC3)cc([S+](C)[O-])n2)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.45
IDH2 P48735 1/20 0.39
ADORA2A P29274 1/20 0.32
FABP4 P15090 5/20 0.32
FABP5 Q01469 5/20 0.32

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
SCHEMBL19686338 0.86 IDH1 (0.51) IDH1IDH2ADORA2AFABP4FABP5
SCHEMBL21165966 0.84 IDH1 (0.49) IDH1IDH2ADORA2AFABP4FABP5
SCHEMBL19686995 0.84 IDH1 (0.49) IDH1IDH2ADORA2AFABP4FABP5
SCHEMBL31127091 0.84 IDH1 (0.49) IDH1IDH2ADORA2AFABP4FABP5
SCHEMBL31127037 0.83 IDH1 (0.40) IDH1IDH2FABP4FABP5
SCHEMBL21143706 0.83 IDH1 (0.40) IDH1IDH2FABP4FABP5
SCHEMBL19686927 0.83 IDH1 (0.47) IDH1IDH2ADORA2AFABP4FABP5
SCHEMBL21143951 0.83 IDH1 (0.48) IDH1IDH2ADORA2AFABP4FABP5
SCHEMBL19686897 0.83 IDH1 (0.48) IDH1IDH2ADORA2AFABP4FABP5
SCHEMBL31127403 0.83 IDH1 (0.48) IDH1IDH2ADORA2AFABP4FABP5

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (2 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885ADORA2A 1711/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885ADORA2A 1711/4885

“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.