SCHEMBL22070686

SCHEMBL22070686

CS(=O)(=O)NCCCCCCOS(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
MMP9 P14780 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
EPHX2 P34913 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
POLB P06746 1/20 0.39
GRIA1 P42261 3/20 0.39
CA1 P00915 11/20 0.38
CA2 P00918 11/20 0.38
CA9 Q16790 11/20 0.38
CA12 O43570 3/20 0.38
CA3 P07451 3/20 0.38
CA4 P22748 3/20 0.38
CA6 P23280 3/20 0.38
CA5A P35218 3/20 0.38

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
SCHEMBL4472128 0.91 ALDH1A1 (0.61) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL13056651 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL16202245 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL3706930 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14739086 0.82 GRIA1 (0.52) ALDH1A1KDM4ELMNAEPHX2POLB
SCHEMBL14740061 0.82 GRIA1 (0.52) ALDH1A1KDM4ELMNAEPHX2POLB
SCHEMBL4954793 0.82 TSHR (0.94) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL8592211 0.82 TSHR (0.94) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL1335477 0.82 TSHR (0.94) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4298840 0.82 TSHR (0.94) ALDH1A1KDM4EUSP2LMNAMMP9

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
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

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 ALDH1A1 378/4885KDM4E 169/4885USP2 2747/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 ALDH1A1 378/4885KDM4E 169/4885USP2 2747/4885

“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.