SCHEMBL1930848

SCHEMBL1930848

COC(=O)[C@@H](CC1CCOCC1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.36
CTSK P43235 2/20 0.36
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
NAAA Q02083 1/20 0.32
GCK P35557 1/20 0.31
USP30 Q70CQ3 1/20 0.31
CCR2 P41597 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
KMT2A Q03164 2/20 0.30
HCRTR2 O43614 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1930847 1.00 CTSS (0.36) CTSSCTSKUSP2SMN1; SMN2RECQL
SCHEMBL20241775 0.89 CTSS (0.43) CTSSCTSKSMN1; SMN2CA12CA14
SCHEMBL28077247 0.79 CTSK (0.45) CTSSCTSKAAK1
SCHEMBL2199576 0.79 CTSK (0.53) CTSSCTSKCA12CA14AAK1
SCHEMBL2199572 0.79 CTSK (0.53) CTSSCTSKCA12CA14AAK1
SCHEMBL16800 0.79 CTSK (0.53) CTSSCTSKCA12CA14AAK1
SCHEMBL18497396 0.75 KDM4E (0.49) USP2SMN1; SMN2RECQLALDH1A1
SCHEMBL12091408 0.74 PIK3CD (0.37) CTSKCA14NAAAGCKKMT2A
SCHEMBL1711663 0.74 PIK3CD (0.33) CNR2CNR1NAAAGCKKMT2A
SCHEMBL1711666 0.74 PIK3CD (0.33) CNR2CNR1NAAAGCKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071606-B2 Substituted pyrazinone amides useful for activation of glucokinase PFIZER INC. (US) 2011-12-06 US disclosed
US-20110130365-A1 Fluorinated Heteroaryls BENBOW JOHN W 2011-06-02 US disclosed
US-20100184777-A1 Substituted Pyrazinone Amides PFIZER INC 2010-07-22 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 (2 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-20100184777-A1 Substituted Pyrazinone Amides GCK, GCKR, PDK2 CTSS 1574/4885CTSK 259/4885USP2 4310/4885
US-20110130365-A1 Fluorinated Heteroaryls GCKR, GALK1, GCK CTSS 1972/4885CTSK 659/4885USP2 4193/4885

“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.