SCHEMBL12997331

SCHEMBL12997331

CCN1C(=O)OCC1Cc1ccc(Oc2ccc(/C=C3/SC(=S)NC3=O)cc2OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.57
PDE3A Q14432 6/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ADAMTS5 Q9UNA0 2/20 0.56
DYRK1A Q13627 3/20 0.54
CISD1 Q9NZ45 3/20 0.52
ESRRA P11474 1/20 0.49
PIK3CG P48736 1/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CDC7 O00311 1/20 0.48

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
SCHEMBL3763210 0.93 ESRRA (0.58) PDE4BMEN1KMT2AALDH1A1LMNA
SCHEMBL3763212 0.93 ESRRA (0.58) PDE4BMEN1KMT2AALDH1A1LMNA
SCHEMBL3761342 0.91 CISD1 (0.50) PDE4BPDE3AMEN1KMT2AALDH1A1
SCHEMBL12997337 0.91 CISD1 (0.50) PDE4BPDE3AMEN1KMT2AALDH1A1
SCHEMBL3761343 0.91 CISD1 (0.50) PDE4BPDE3AMEN1KMT2AALDH1A1
SCHEMBL12997326 0.91 PDE4B (0.48) PDE4BPDE3AMEN1KMT2AALDH1A1
SCHEMBL3761296 0.89 MMP3 (0.53) PDE4BPDE3AMEN1KMT2AALDH1A1
SCHEMBL3761292 0.89 MMP3 (0.53) PDE4BPDE3AMEN1KMT2AALDH1A1
SCHEMBL12997315 0.89 MMP3 (0.53) PDE4BPDE3AMEN1KMT2AALDH1A1
SCHEMBL12997360 0.88 PDE4B (0.46) PDE4BPDE3AMEN1KMT2AALDH1A1

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-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 US disclosed
US-20100305174-A1 Novel Heterocyclic Derivatives ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-12-02 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-20100305174-A1 Novel Heterocyclic Derivatives UGT1A1, CYP3A4, CYP3A43 PDE4B 394/4885PDE3A 378/4885MEN1 517/4885

“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.