SCHEMBL9980409

SCHEMBL9980409

CC(=O)NC(C(=O)O)(C(=O)O)c1ccc(F)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.36
BDKRB1 P46663 1/20 0.36
EGLN1 Q9GZT9 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34
POLB P06746 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
PDE4D Q08499 1/20 0.34
P2RX7 Q99572 4/20 0.33
CETP P11597 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPA1 O75762 1/20 0.33
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 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
SCHEMBL9978328 0.81 PTK2 (0.49) POLBLMNAGAA
SCHEMBL9980403 0.81 DHFR (0.39) POLBKDM4E
SCHEMBL2499615 0.80 MAPT (0.49) POLBMEN1LMNAGAAKMT2A
SCHEMBL3634409 0.78 BDKRB1 (0.36) IDO1TDO2BDKRB1POLBMEN1
SCHEMBL12332349 0.77 BDKRB1 (0.35) IDO1TDO2BDKRB1POLBCETP
SCHEMBL1759981 0.75 DGAT1 (0.41) EGLN1EGLN3KDM4ECNR1CNR2
SCHEMBL17765237 0.73 SLC22A12 (0.35) IDO1TDO2BDKRB1EGLN1EGLN3
SCHEMBL30628308 0.73 TRPV4 (0.35) P2RX7CETPKDM4ETRPA1
SCHEMBL160471 0.73 TRPV4 (0.35) P2RX7CETPKDM4ETRPA1
SCHEMBL16132531 0.70 HSD11B1 (0.37) TRPA1

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-9365574-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
EP-2575473-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-01-20 EP disclosed
US-8741910-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2575473-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2013-04-10 EP disclosed
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-03-21 US disclosed
WO-2011149921-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 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-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE2A IDO1 3884/4885TDO2 3991/4885BDKRB1 129/4885

“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.