SCHEMBL16098862

SCHEMBL16098862

OCCCC(O)(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 4/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MLYCD O95822 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ AR P10275 1/20 0.33
▸ NR1I2 O75469 1/20 0.32

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
SCHEMBL17026 0.81 AR (0.46) NR1H2NR1H3LMNAMAPTSMN1; SMN2
SCHEMBL19511135 0.79 CA1 (0.37) NR1H2NR1H3HTTLMNAMAPT
SCHEMBL16328346 0.77 CA1 (0.38) NR1H2NR1H3LMNAMAPTSMN1; SMN2
SCHEMBL1984793 0.77 BCL2 (0.41) HTTLMNAMAPTPOLBSMN1; SMN2
SCHEMBL4987167 0.76 AR (0.47) NR1H2NR1H3CA1CA2CA5A
SCHEMBL18065574 0.76 AR (0.47) NR1H2NR1H3CA1CA2CA5A
SCHEMBL18087177 0.75 HTT (0.36) NR1H2NR1H3HTTLMNAMAPT
SCHEMBL30788987 0.72 CA1 (0.37) NR1H2NR1H3HTTLMNAMAPT
SCHEMBL4447595 0.68 MAPK1 (0.40) HTTLMNAMAPTPOLBSMN1; SMN2
SCHEMBL17054 0.68 NR1H2 (0.56) NR1H2NR1H3SMN1; SMN2CA1CA2

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 8 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
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 — — EP disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 — — EP disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO 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
EP-2976341-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 — — EP disclosed
WO-2014146493-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 — — WO disclosed
WO-2014146493-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 — — WO 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-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 NR1H2 2582/4885NR1H3 2906/4885HTT 4814/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 NR1H2 2582/4885NR1H3 2906/4885HTT 4814/4885

“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.

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