SCHEMBL9978328

SCHEMBL9978328

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.49
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GAA P10253 1/20 0.35
MAOB P27338 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
SCHEMBL9980403 0.81 DHFR (0.39) TDP1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL9980409 0.81 IDO1 (0.36) POLBLMNAGAA
SCHEMBL2477736 0.80 ALDH1A1 (0.44) PTK2TDP1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL12332486 0.77 PTK2 (0.47) PTK2TDP1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL3581907 0.72 PTK2 (0.41) PTK2TDP1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL17420409 0.71 L3MBTL1 (0.42) PTK2L3MBTL1SMN1; SMN2RAB9APOLB
SCHEMBL34472203 0.70 MAP4K4 (0.45) PTK2SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10831553 0.67 NFE2L2 (0.44) PTK2L3MBTL1POLBALDH1A1MAPK1
SCHEMBL22758108 0.67 PTK2 (0.42) PTK2TDP1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL8247564 0.66 FAAH (0.45) PTK2TDP1L3MBTL1SMN1; SMN2ALDH1A1

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 PTK2 3355/4885TDP1 643/4885L3MBTL1 4688/4885

“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.