SCHEMBL5823455

SCHEMBL5823455

CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
GAA P10253 2/20 0.48
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL5767744 1.00 TSHR (0.48) TSHRGAANOD2NOD1LMNA
SCHEMBL6319224 1.00 TSHR (0.48) TSHRGAANOD2NOD1LMNA
SCHEMBL25491428 0.89 L3MBTL1 (0.48) TSHRGAANOD2NOD1LMNA
SCHEMBL25491436 0.89 NOD2 (0.50) TSHRGAANOD2NOD1LMNA
SCHEMBL5163665 0.88 TSHR (0.57) TSHRGAANOD2NOD1LMNA
SCHEMBL4939764 0.88 TSHR (0.57) TSHRGAANOD2NOD1LMNA
SCHEMBL23775984 0.88 TSHR (0.57) TSHRGAANOD2NOD1LMNA
SCHEMBL31248563 0.88 CACNA1D (0.48) TSHRGAANOD2NOD1LMNA
SCHEMBL25491424 0.86 LMNA (0.50) TSHRGAANOD2NOD1LMNA
SCHEMBL23776239 0.86 TSHR (0.52) TSHRGAANOD2NOD1LMNA

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
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US disclosed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 WO 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 TSHR 975/4885GAA 2068/4885NOD2 1815/4885

“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.