SCHEMBL22400535

SCHEMBL22400535

CC(=O)/C(=C\c1csc2c(C#N)cccc12)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
PDE10A Q9Y233 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
NOTUM Q6P988 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CRHR1 P34998 1/20 0.30
SLC9A1 P19634 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SLC22A12 Q96S37 1/20 0.30

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
SCHEMBL20954588 1.00 KDM4E (0.37) KDM4EPDE10ACYP1A2CYP3A4CYP2C9
SCHEMBL20954535 0.94 PDE10A (0.37) KDM4EPDE10ACYP1A2CYP3A4CYP2C9
SCHEMBL22400592 0.89 PDE10A (0.35) PDE10ANOTUMCA1CA2CRHR1
SCHEMBL29883607 0.87 PDE10A (0.36) KDM4EPDE10ACYP3A4CYP2C9CYP2C19
SCHEMBL22527418 0.87 PDE10A (0.36) KDM4EPDE10ACYP3A4CYP2C9CYP2C19
SCHEMBL22400501 0.84 PDE10A (0.36) KDM4EPDE10ACYP1A2CYP3A4CYP2C9
SCHEMBL22400503 0.84 PDE10A (0.36) KDM4EPDE10ACYP1A2CYP3A4CYP2C9
SCHEMBL20954670 0.83 PDE10A (0.33) KDM4EPDE10ACA1CA2ALDH1A1
SCHEMBL22400522 0.82 EIF4EBP1 (0.30)
SCHEMBL29882727 0.82 PDE10A (0.32) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707143-B9 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2023-04-12 EP disclosed
EP-3707143-B1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2022-12-28 EP disclosed
US-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE, S.L. (ES) 2020-10-15 US disclosed
EP-3707143-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS Oncostellae, S.L. (ES) 2020-09-16 EP disclosed
CN-111491935-A Novel analogs as androgen receptor and glucocorticoid receptor modulators 昂科斯特拉公司 2020-08-04 CN 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-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS NR5A1, AR, NR3C1 KDM4E 3692/4885PDE10A 2555/4885CYP1A2 919/4885

“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.