SCHEMBL16875926

SCHEMBL16875926

CCOC(=O)C1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.41
▸ GAA P10253 1/20 0.38
▸ UCHL1 P09936 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ OGA O60502 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ LGMN Q99538 1/20 0.34

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
SCHEMBL31260505 0.88 FFAR1 (0.41) FFAR1KMT2AHSD11B1ALDH1A1MAPT
SCHEMBL16876545 0.85 FFAR1 (0.44) FFAR1
SCHEMBL1987497 0.82 FFAR1 (0.49) FFAR1
SCHEMBL26911766 0.82 FFAR1 (0.43) FFAR1HSD11B1
SCHEMBL26911769 0.82 FFAR1 (0.43) FFAR1HSD11B1
SCHEMBL21916132 0.81 FFAR1 (0.41) FFAR1
SCHEMBL1357757 0.80 UCHL1 (0.37) GAAUCHL1KMT2APOLBALDH1A1
SCHEMBL1357761 0.80 UCHL1 (0.37) GAAUCHL1KMT2APOLBALDH1A1
SCHEMBL661896 0.80 FFAR1 (0.41) FFAR1ALDH1A1HPGD
SCHEMBL21858191 0.79 FFAR1 (0.38) FFAR1GAAUCHL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2863914-B1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-10-03 — — EP disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 — — US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 — — US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 — — US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 — — US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 — — 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 (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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK FFAR1 2704/4885GAA 2094/4885UCHL1 2348/4885

“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.

Send feedback