SCHEMBL9980403

SCHEMBL9980403

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 2/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 2/20 0.35
NPC1 O15118 1/20 0.33
HDAC4 P56524 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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) TSHRSMN1; SMN2TDP1NPC1POLB
SCHEMBL9980409 0.81 IDO1 (0.36) KDM4EPOLB
SCHEMBL2476201 0.80 MAPK1 (0.48) TSHRPKMKDM4EPOLBMAPK1
SCHEMBL12332348 0.77 DHFR (0.38) DHFRTSHRSMN1; SMN2TDP1CYP2C19
SCHEMBL12332444 0.77 DHFR (0.38) DHFRTSHRSMN1; SMN2TDP1CYP2C19
Carbamic Acid SCHEMBL1982476 0.71 RAB9A (0.39) DHFRTSHRSMN1; SMN2TDP1CYP2C19
SCHEMBL16424227 0.68 MAPT (0.41) DHFRTSHRSMN1; SMN2TDP1CYP2C19
SCHEMBL16423038 0.68 DHFR (0.38) DHFRTSHRSMN1; SMN2TDP1CYP2C19
SCHEMBL7627615 0.68 CYP2C19 (0.48) DHFRTSHRSMN1; SMN2TDP1CYP2C19
SCHEMBL15986971 0.67 CA12 (0.39) CYP2C19CA12CA1CA2CA9

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 DHFR 2102/4885TSHR 2069/4885SMN1; SMN2 741/4885

“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.