SCHEMBL21394896

SCHEMBL21394896

CC(C)(C)OC(=O)Nc1ncc(C(O)c2ccc(F)c(F)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.42
CDK2 P24941 4/20 0.41
CCNE1 P24864 3/20 0.41
CDK5 Q00535 3/20 0.41
FFAR2 O15552 6/20 0.41
SCD O00767 1/20 0.40
S1PR3 Q99500 1/20 0.39
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
RORC P51449 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LCK P06239 2/20 0.36

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
SCHEMBL21394898 0.86 SCD (0.45) P2RY2CDK2CCNE1CDK5SCD
SCHEMBL29356596 0.86 SCD (0.45) P2RY2CDK2CCNE1CDK5SCD
SCHEMBL21394886 0.85 P2RY2 (0.53) P2RY2CDK2CCNE1CDK5FFAR2
SCHEMBL21395247 0.85 PSEN1 (0.48) P2RY2CDK2CCNE1CDK5PSEN1
SCHEMBL29358752 0.83 S1PR3 (0.46) P2RY2CDK2CCNE1CDK5FFAR2
SCHEMBL29353674 0.83 CCNE1 (0.41) P2RY2CDK2CCNE1CDK5FFAR2
SCHEMBL21394890 0.83 S1PR3 (0.46) P2RY2CDK2CCNE1CDK5FFAR2
SCHEMBL21394901 0.83 CCNE1 (0.41) P2RY2CDK2CCNE1CDK5FFAR2
SCHEMBL5023839 0.83 CDK2 (0.39) P2RY2CDK2CCNE1CDK5FFAR2
SCHEMBL21395055 0.83 PSEN1 (0.42) P2RY2CDK2CCNE1CDK5FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 P2RY2 2029/4885CDK2 1627/4885CCNE1 2527/4885

“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.