SCHEMBL16795993

SCHEMBL16795993

COC(=O)C(C)(c1ccc(F)cc1)C(C#N)C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CTSL P07711 6/20 0.39
▸ RAPGEF3 O95398 2/20 0.36
▸ RAPGEF4 Q8WZA2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALPG P10696 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP26A1 O43174 1/20 0.35

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
SCHEMBL19423359 0.85 KCNN4 (0.34) ALDH1A1KCNN4
SCHEMBL19423364 0.85 KCNN4 (0.34) ALDH1A1KCNN4
SCHEMBL16795999 0.85 KCNN4 (0.34) ALDH1A1KCNN4
SCHEMBL9978258 0.84 KCNN4 (0.51) KMT2AMEN1MAPTCTSLKCNN4
SCHEMBL17318022 0.84 MAPT (0.42) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL17765339 0.83 CTSL (0.40) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL2791254 0.81 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL16795991 0.78 KCNN4 (0.45) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL18263956 0.76 CACNA1G (0.36) CTSLCTSSCTSKCACNA1G
SCHEMBL14544192 0.74 RAB9A (0.39) SMN1; SMN2KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3079700-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-11-25 — — EP disclosed
EP-3079700-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-11-25 — — EP disclosed
US-9783552-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-10 — — US disclosed
US-9783552-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-10 — — US disclosed
US-20160304537-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US disclosed
US-20160304537-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US disclosed
EP-3079700-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2016-10-19 — — EP disclosed
WO-2015088886-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — WO disclosed
WO-2015088886-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — 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 (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-20160304537-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, PRKG1 SMN1; SMN2 691/4885KMT2A 4673/4885MEN1 1241/4885

“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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