SCHEMBL18063591

SCHEMBL18063591

C[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)C[C@@H](C)O1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.51
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
DDIT3 P35638 1/20 0.47

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
SCHEMBL18063584 1.00 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TSHRLMNANPC1
SCHEMBL16129348 1.00 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TSHRLMNANPC1
SCHEMBL18063593 1.00 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TSHRLMNANPC1
SCHEMBL19264969 0.85 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TSHRHTTKMT2A
SCHEMBL12169336 0.85 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TSHRHTTKMT2A
SCHEMBL16125047 0.84 MEN1 (0.60) ALDH1A1TSHRLMNAHTTKMT2A
SCHEMBL15196280 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TSHRLMNAKMT2A
SCHEMBL15800501 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TSHRLMNANPC1
SCHEMBL5307105 0.83 KMT2A (0.69) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL16101832 0.81 LMNA (0.52) TSHRLMNAHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
US-9957265-B2 N-(2-cyano heterocyclyl) pyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
EP-2976338-B1 N-(2-CYANO HETEROCYCLYL)PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-01-03 EP disclosed
US-20160272633-A1 N-(2-CYANO HETEROCYCLYL) PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 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 (3 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-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 SMN1; SMN2 4833/4885ALDH1A1 1844/4885TSHR 1358/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 SMN1; SMN2 4833/4885ALDH1A1 1844/4885TSHR 1358/4885
US-20160272633-A1 N-(2-CYANO HETEROCYCLYL) PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 SMN1; SMN2 2675/4885ALDH1A1 2673/4885TSHR 2168/4885

“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.