SCHEMBL3623949

SCHEMBL3623949

CC(C)(C)OC(=O)Nc1cccc2c1C(=O)c1sccc1CS2(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.40
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KMT2A Q03164 1/20 0.33
ELANE P08246 1/20 0.32
CCNE2 O96020 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
HPGD P15428 1/20 0.31
TDP2 O95551 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN13 Q12923 1/20 0.31

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
SCHEMBL5765490 0.87 KDM4E (0.37) KDM4EMAPTKMT2ACCNE2CCNE1
SCHEMBL5679654 0.86 HDAC3 (0.35) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL5767116 0.86 KDM4E (0.34) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL5766199 0.86 ALDH1A1 (0.42) KDM4EMAPTKMT2AHPGD
SCHEMBL5766555 0.86 HDAC1 (0.36) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL5766878 0.86 CCNE2 (0.42) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL14371336 0.85 KDM4E (0.34) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL3957687 0.85 KDM4E (0.34) KDM4EMAPTCCNE2CCNE1CDK2
SCHEMBL5766370 0.84 METAP1 (0.39) METAP1KDM4EMAPTRXFP1HSP90AA1
SCHEMBL5766426 0.83 KDM4E (0.36) KDM4EMAPTCCNE2CCNE1CDK2

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-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-10-21 US disclosed
EP-2077122-A1 THERAPEUTIC AGENTS FOR IRRITABLE BOWEL SYNDROME Kyowa Hakko Kirin Co., Ltd. (JP) 2009-07-08 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 (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-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME SLC10A2, ADORA3, HRH2 METAP1 2600/4885KDM4E 3186/4885MAPT 4871/4885

“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.