SCHEMBL3039619

SCHEMBL3039619

CCOC(=O)c1cnn(-c2cccc(-c3cc(F)ccc3OC)n2)c1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 8/20 0.63
GUCY1B1 Q02153 8/20 0.63
KDM4E B2RXH2 6/20 0.59
HPGD P15428 6/20 0.59
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
MAPT P10636 3/20 0.59
GAA P10253 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
TRPC1 P48995 2/20 0.45
TRPC3 Q13507 2/20 0.45
STIM1 Q13586 2/20 0.45

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
SCHEMBL1782185 0.92 GUCY1A1 (0.64) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL4004406 0.90 GUCY1A1 (0.62) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL3030195 0.89 GUCY1A1 (0.65) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL15168687 0.89 GUCY1A1 (0.60) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL15168665 0.89 GUCY1A1 (0.60) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL4000216 0.87 GUCY1A1 (0.53) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL16555604 0.87 GUCY1A1 (0.62) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL4003949 0.86 GUCY1A1 (0.65) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL16555919 0.85 GUCY1A1 (0.58) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1
SCHEMBL3997119 0.84 GUCY1A1 (0.56) GUCY1A1GUCY1B1KDM4EHPGDALDH1A1

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 1/4885KDM4E 1927/4885

“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.