SCHEMBL12014244

SCHEMBL12014244

CN1C(=O)CCC(C(F)(F)F)C1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.33
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
SRD5A1 P18405 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
SCHEMBL21536696 0.82 KMT2A (0.33) CRBNTSHRKMT2ASRD5A1
SCHEMBL22549788 0.72 TSHR (0.33) CRBNTSHRKMT2ASRD5A1
SCHEMBL28251386 0.71 MAPK1 (0.30)
SCHEMBL8556280 0.70 PIK3CD (0.35) CRBNTSHRKMT2ASRD5A1
Trifluoroacetic Acid SCHEMBL4779929 0.68 BACE1 (0.34) TSHR
Hydrochloric Acid SCHEMBL10768662 0.68 PIK3CD (0.34) CRBNTSHRKMT2ASRD5A1
SCHEMBL19370778 0.68 TSHR (0.40) CRBNTSHRKMT2ASRD5A1
SCHEMBL84385 0.68 TSHR (0.40) CRBNTSHRKMT2ASRD5A1
SCHEMBL26192722 0.68 TSHR (0.33) CRBNTSHRKMT2ASRD5A1
SCHEMBL8096635 0.68

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-8524742-B2 Use of 5H-thioeno(3,4-c)pyrrole-4,6-dione derivatives as tumor necrosis factor inhibitor TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2013-09-03 US disclosed
US-20120220631-A1 USE OF 5H-THIOENO(3,4-c)PYRROLE-4,6-DIONE DERIVATIVES AS TUMOR NECROSIS FACTOR INHIBITOR TIANJIN HEMAY BIO-TECH CO., LTD. (CN) 2012-08-30 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 (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-20120220631-A1 USE OF 5H-THIOENO(3,4-c)PYRROLE-4,6-DIONE DERIVATIVES AS TUMOR NECROSIS FACTOR INHIBITOR TNF, TPMT, TNFRSF1A CRBN 1305/4885TSHR 1010/4885KMT2A 2769/4885

“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.