SCHEMBL17398151

SCHEMBL17398151

CCOC(=O)c1cnn(-c2cccc(-c3sccc3COc3ccc(C4CCN(C(=O)O)CC4)cc3C)n2)c1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 18/20 0.61
GUCY1B1 Q02153 18/20 0.61
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17398765 0.94 GUCY1A1 (0.55) GUCY1A1GUCY1B1KDM4EALDH1A1MAPT
SCHEMBL19097481 0.93 GUCY1A1 (0.59) GUCY1A1GUCY1B1ALDH1A1MEN1GAA
SCHEMBL17398161 0.93 GUCY1A1 (0.58) GUCY1A1GUCY1B1KDM4EALDH1A1MAPT
SCHEMBL17398201 0.92 GUCY1A1 (0.58) GUCY1A1GUCY1B1KDM4EALDH1A1MAPT
SCHEMBL17398175 0.91 GUCY1A1 (0.55) GUCY1A1GUCY1B1KDM4EALDH1A1MAPT
SCHEMBL17398194 0.91 GUCY1A1 (0.53) GUCY1A1GUCY1B1KDM4EALDH1A1MAPT
SCHEMBL17398169 0.91 GUCY1A1 (0.56) GUCY1A1GUCY1B1KDM4EALDH1A1MAPT
SCHEMBL17398243 0.90 GUCY1A1 (0.58) GUCY1A1GUCY1B1
SCHEMBL19097470 0.89 GUCY1A1 (0.65) GUCY1A1GUCY1B1
SCHEMBL17398338 0.89 GUCY1A1 (0.60) GUCY1A1GUCY1B1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765067-B2 Thiophen-2-yl-pyridin-2-yl-1H-pyrazole-4-carboxylic acid derivatives and the use thereof as soluble guanylate cyclase activators NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20170197950-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2017-07-13 US disclosed
EP-3164399-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS Novartis AG (CH) 2017-05-10 EP disclosed
WO-2016001876-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS NOVARTIS AG (CH) 2016-01-07 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-20170197950-A1 THIOPHEN-2-YL-PYRIDIN-2-YL-1H-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B2, GUCY1A2, GUCY1A1 GUCY1A1 3/4885GUCY1B1 4/4885KDM4E 2888/4885

“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.