SCHEMBL29358752

SCHEMBL29358752

CC(C)(C)OC(=O)Nc1ncc(C(O)c2cccc(Cl)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.46
SCD O00767 1/20 0.45
P2RY2 P41231 1/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
LCK P06239 5/20 0.43
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
FFAR2 O15552 2/20 0.41
PYGL P06737 1/20 0.40
GLS O94925 2/20 0.39

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
SCHEMBL21394890 1.00 S1PR3 (0.46) S1PR3SCDP2RY2CCNE1CDK2
SCHEMBL21394898 0.87 SCD (0.45) S1PR3SCDP2RY2CCNE1CDK2
SCHEMBL29356596 0.87 SCD (0.45) S1PR3SCDP2RY2CCNE1CDK2
SCHEMBL21395232 0.87 P2RY2 (0.43) S1PR3SCDP2RY2CCNE1CDK2
SCHEMBL21394886 0.86 P2RY2 (0.53) P2RY2CCNE1CDK2CDK5FFAR2
SCHEMBL29357987 0.86 CCNE1 (0.47) SCDP2RY2CCNE1CDK2CDK5
SCHEMBL21395005 0.86 CCNE1 (0.47) SCDP2RY2CCNE1CDK2CDK5
SCHEMBL21395055 0.84 PSEN1 (0.42) S1PR3SCDP2RY2CCNE1CDK2
SCHEMBL21394896 0.83 P2RY2 (0.42) S1PR3SCDP2RY2CCNE1CDK2
SCHEMBL5026040 0.83 MAPT (0.43) S1PR3P2RY2CCNE1CDK2CDK5

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-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP 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 (3 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 S1PR3 942/4885SCD 3755/4885P2RY2 2029/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 S1PR3 1782/4885SCD 2044/4885P2RY2 998/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 S1PR3 1782/4885SCD 2044/4885P2RY2 998/4885

“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.