SCHEMBL16885249

SCHEMBL16885249

CC(C)CC(=O)N1[C@H](C)COC[C@H]1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 1/20 0.31
PRMT5 O14744 1/20 0.31
PTPN1 P18031 1/20 0.31
ATM Q13315 1/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL16885251 1.00 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPSR1L3MBTL1ALDH1A1
SCHEMBL20221646 0.82 SMN1; SMN2 (0.59) SMN1; SMN2POLBNPSR1L3MBTL1ALDH1A1
SCHEMBL19473334 0.79 SMN1; SMN2 (0.43) SMN1; SMN2POLBNPSR1L3MBTL1ALDH1A1
SCHEMBL16889155 0.78 CHRNB2 (0.35) SMN1; SMN2ALDH1A1PRMT5GLAHPGD
SCHEMBL20672083 0.78 CHRNB2 (0.35) SMN1; SMN2ALDH1A1PRMT5GLAHPGD
SCHEMBL8471321 0.78 SMN1; SMN2 (0.35) SMN1; SMN2L3MBTL1ALDH1A1PRMT5GLA
SCHEMBL16889154 0.78 CHRNB2 (0.35) SMN1; SMN2ALDH1A1PRMT5GLAHPGD
SCHEMBL21561666 0.76 ACE (0.34) SMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL17026384 0.76 ALDH1A1 (0.42) SMN1; SMN2POLBALDH1A1GLAHPGD
SCHEMBL20204915 0.76 ALDH1A1 (0.32) SMN1; SMN2L3MBTL1ALDH1A1GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK SMN1; SMN2 4721/4885POLB 2581/4885NPSR1 2462/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 SMN1; SMN2 4598/4885POLB 1695/4885NPSR1 2683/4885

“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.