SCHEMBL22071071

SCHEMBL22071071

NS(=O)(=O)CCCCCOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.49
CA1 P00915 4/20 0.49
CA9 Q16790 4/20 0.49
MGLL Q99685 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.45
CA5A P35218 2/20 0.44
EPHX2 P34913 1/20 0.42
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL1002697 0.93 CA2 (0.52) CA2CA1CA9MGLLL3MBTL1
SCHEMBL1621831 0.86 CA2 (0.55) CA2CA1CA9MGLLTSHR
SCHEMBL31061188 0.83 MGLL (0.48) CA2CA1CA9MGLLL3MBTL1
SCHEMBL22070850 0.83 MGLL (0.48) CA2CA1CA9MGLLL3MBTL1
SCHEMBL23461748 0.83 CA2 (0.52) CA2CA1CA9MGLLTSHR
Hydrochloric Acid SCHEMBL28277924 0.82 MGLL (0.47) MGLLL3MBTL1TDP1TSHREPHX2
SCHEMBL9011734 0.82 TSHR (0.67) L3MBTL1TDP1TSHREPHX2LTA4H
SCHEMBL9011624 0.82 TSHR (0.67) L3MBTL1TDP1TSHREPHX2LTA4H
SCHEMBL9011646 0.82 TSHR (0.67) L3MBTL1TDP1TSHREPHX2LTA4H
SCHEMBL9011715 0.82 TSHR (0.67) L3MBTL1TDP1TSHREPHX2LTA4H

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-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 CN 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 (2 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 CA2 363/4885CA1 961/4885CA9 582/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 CA2 363/4885CA1 961/4885CA9 582/4885

“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.