SCHEMBL3053305

SCHEMBL3053305

CS(=O)(=O)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
TSHR P16473 1/20 0.33
SHBG P04278 1/20 0.32

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
SCHEMBL20594856 1.00 EPHX2 (0.33) EPHX2TSHRSHBG
SCHEMBL3053304 1.00 EPHX2 (0.33) EPHX2TSHRSHBG
SCHEMBL1965395 0.85
SCHEMBL8366646 0.79 EPHX2 (0.43) EPHX2TSHRSHBG
Formic Acid SCHEMBL30610134 0.78
SCHEMBL9359785 0.77
SCHEMBL18402659 0.77 TSHR (0.37) EPHX2TSHRSHBG
SCHEMBL18402799 0.77 TSHR (0.37) EPHX2TSHRSHBG
SCHEMBL17547340 0.77
SCHEMBL16557012 0.77 TSHR (0.37) EPHX2TSHR

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-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof NOVARTIS AG (CH) 2020-03-31 US disclosed
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-01-24 US disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 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 (3 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-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof KDM1A, KDM5A, KDM1B EPHX2 2322/4885TSHR 3500/4885SHBG 4333/4885
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF KDM1A, KDM5A, KDM1B EPHX2 2322/4885TSHR 3500/4885SHBG 4333/4885
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 EPHX2 1815/4885TSHR 1056/4885SHBG 758/4885

“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.