Sugi Predict

Sugi Predict / Compounds / SCHEMBL6544455

SCHEMBL6544455

SCHEMBL6544455

Cc1ccc(S(=O)(=O)ON2CCC(Cc3ccccc3)(C(=O)N3CCN(C)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP2D6 P10635 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ FKBP1A P62942 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37

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
SCHEMBL6543184 0.92 ALDH1A1 (0.46) GAAPKMALDH1A1LMNATSHR
SCHEMBL6544418 0.92 ALDH1A1 (0.44) GAAPKMALDH1A1LMNATSHR
SCHEMBL6543591 0.91 ALDH1A1 (0.48) GAAPKMALDH1A1HPGDNPSR1
SCHEMBL6543251 0.91 ALDH1A1 (0.48) GAAPKMALDH1A1HPGDNPSR1
SCHEMBL6543966 0.89 L3MBTL1 (0.44) GAAPKMALDH1A1LMNAHPGD
SCHEMBL6544452 0.81 GAA (0.45) GAAPKMCYP2D6ALDH1A1LMNA
SCHEMBL6543293 0.76 KMT2A (0.40) GAAPKMALDH1A1LMNATSHR
SCHEMBL7744635 0.75 KMT2A (0.41) GAAPKMALDH1A1TSHRHPGD
SCHEMBL8366661 0.74 MEN1 (0.38) GAAPKMALDH1A1CYP2C19KDM4E
SCHEMBL6543519 0.74 KDM4E (0.40) GAAPKMCYP2D6ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-11-04 — — US disclosed
US-6710042-B2 PIPERIDINE DERIVATIVES; TREATMENT OF PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2004-03-23 — — US disclosed
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-04-25 — — US disclosed
US-6028082-A FOR TRATING PSYCHOLOGICAL DISORDERS SANOFI-SYNTHELABO (FR) 2000-02-22 — — 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 (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-20040220223-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 GAA 1865/4885PKM 1186/4885CYP2D6 989/4885
US-20020049329-A1 Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them TACR2, BDKRB2, ACKR3 GAA 1865/4885PKM 1186/4885CYP2D6 989/4885

“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.