SCHEMBL3040871

SCHEMBL3040871

CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(C4CCN(C(=O)O)CC4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 20/20 0.62
GUCY1B1 Q02153 20/20 0.62

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
SCHEMBL3039823 0.95 GUCY1A1 (0.57) GUCY1A1GUCY1B1
SCHEMBL3041448 0.93 GUCY1A1 (0.59) GUCY1A1GUCY1B1
SCHEMBL3030596 0.91 GUCY1A1 (0.58) GUCY1A1GUCY1B1
SCHEMBL3033489 0.91 GUCY1A1 (0.60) GUCY1A1GUCY1B1
SCHEMBL3034884 0.91 GUCY1A1 (0.64) GUCY1A1GUCY1B1
SCHEMBL16835706 0.91 GUCY1A1 (0.62) GUCY1A1GUCY1B1
SCHEMBL3031267 0.91 GUCY1A1 (0.62) GUCY1A1GUCY1B1
SCHEMBL1782759 0.90 GUCY1A1 (0.58) GUCY1A1GUCY1B1
SCHEMBL3039805 0.90 GUCY1A1 (0.60) GUCY1A1GUCY1B1
SCHEMBL1781270 0.90 GUCY1A1 (0.56) GUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401265-B1 DERIVATIVES OF 1-PYRI(MID)IN-2-YL-PYRAZOLE-4-CARBOXYLIC ACID WHICH ARE USEFUL FOR THERAPY OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES MERCK SHARP & DOHME (US) 2016-09-14 EP disclosed
US-8507512-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-08-13 US disclosed
US-20100216764-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2010-08-26 US 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-20100216764-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A1, GUCY1A2 GUCY1A1 2/4885GUCY1B1 1/4885

“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.