SCHEMBL7016683

SCHEMBL7016683

CCOC(=O)CN1C(=O)N(C)C(=O)C12CCN(C(=O)O)CC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
TACR1 P25103 5/20 0.36
GSK3B P49841 3/20 0.35
GSK3A P49840 2/20 0.35
PIN1 Q13526 1/20 0.35
PIN4 Q9Y237 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.33
PRKCA P17252 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7017321 0.79 TACR1 (0.40) TACR1
SCHEMBL7015877 0.75 TACR1 (0.38) TACR1
SCHEMBL7014922 0.74 TACR1 (0.38) TACR1
SCHEMBL17140591 0.73 TACR1 (0.55) TACR1MEN1KMT2A
SCHEMBL7013914 0.71 ITGB3 (0.37) TACR1MEN1KMT2A
SCHEMBL20187115 0.70 BDKRB2 (0.59) MEN1KMT2A
SCHEMBL16116269 0.67 KDM4E (0.48) GSK3BGSK3ASMN1; SMN2TSHRKMT2A
SCHEMBL4574999 0.67 KDM4E (0.48) GSK3BGSK3ASMN1; SMN2TSHRKMT2A
SCHEMBL17140717 0.67 ENPP2 (0.42) TACR1RAB9AKMT2A
SCHEMBL1728632 0.66 L3MBTL1 (0.39) SMN1; SMN2ALOX15TSHRRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH ELANE 2320/4885TACR1 1484/4885GSK3B 4504/4885

“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.