SCHEMBL3052186

SCHEMBL3052186

CCCCC(C#N)SC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.35
MAPK1 P28482 1/20 0.35
CES1 P23141 1/20 0.34
CA1 P00915 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
FDPS P14324 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GPR84 Q9NQS5 2/20 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
SCHEMBL27830442 0.72 TDP1 (0.36) TSHR
SCHEMBL15789570 0.72 LMNA (0.36) TSHRFDPSGPR84
SCHEMBL16016004 0.69 CA2 (0.39) CA2MAPK1CES1CA1TSHR
SCHEMBL10627769 0.69 CA2 (0.39) CA2MAPK1CES1CA1TSHR
SCHEMBL15789571 0.69 LMNA (0.34) CA2TSHRFDPSGPR84
SCHEMBL1119715 0.69 MGAM (0.38) L3MBTL1TSHR
SCHEMBL4428605 0.68 CA2 (0.47) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL4428606 0.68 CA2 (0.47) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL6897326 0.68 CA2 (0.47) CA2MAPK1SLC1A3SLC1A2SLC1A1
SCHEMBL7183665 0.67 EPHX2 (0.41) CA2MAPK1CES1CA1TSHR

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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US claimed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 CA2 3498/4885MAPK1 3798/4885CES1 1178/4885

“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.