SCHEMBL20125148

SCHEMBL20125148

C=CCOC(=O)/C(=N\O)C(=O)C(F)Cl

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20346778 0.77 TDP1 (0.30) TDP1
SCHEMBL9175808 0.75 CYP3A4 (0.33) CYP3A4
SCHEMBL9175802 0.75 CYP3A4 (0.33) CYP3A4
SCHEMBL9170481 0.74 TSHR (0.37) CYP3A4TDP1
SCHEMBL9170486 0.74 TSHR (0.37) CYP3A4TDP1
SCHEMBL7766345 0.72 KDM4E (0.32) TDP1
SCHEMBL11667699 0.71 TSHR (0.39) CYP3A4TDP1
SCHEMBL6424852 0.70 CYP3A4 (0.37) CYP3A4TDP1
SCHEMBL6838883 0.70 TSHR (0.39) CYP3A4TDP1
SCHEMBL6363030 0.70 CYP3A4 (0.37) CYP3A4TDP1

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-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
US-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SHIONOGI & CO., LTD. (JP) 2018-07-05 US disclosed
EP-3318567-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL Shionogi & Co., Ltd (JP) 2018-05-09 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 (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-20180186814-A1 TRICYCLIC COMPOUND HAVING SULFINYL OR SULFONYL SULT1E1, ABCC5, ABCC4 CYP3A4 82/4885TDP1 4496/4885

“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.