SCHEMBL61341

SCHEMBL61341

CC1CC(C)CC(S(=O)(=O)c2ccc3c(c2)/C(=N/O)c2cc(S(=O)(=O)N4CC(C)CC(C)C4)ccc2/C3=N/O)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.59
▸ KDM4E B2RXH2 4/20 0.59
▸ HPGD P15428 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ XBP1 P17861 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ POLB P06746 5/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ MEN1 O00255 3/20 0.46

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
SCHEMBL18418019 1.00 NPSR1 (0.59) NPSR1KDM4EHPGDMAPTNPC1
Tegavivint SCHEMBL29489537 0.92 NPSR1 (0.68) NPSR1KDM4EHPGDMAPTNPC1
Tegavivint SCHEMBL29372288 0.92 NPSR1 (0.68) NPSR1KDM4EHPGDMAPTNPC1
Tegavivint SCHEMBL13366899 0.92 NPSR1 (0.68) NPSR1KDM4EHPGDMAPTNPC1
Tegavivint SCHEMBL31694538 0.92 NPSR1 (0.68) NPSR1KDM4EHPGDMAPTNPC1
SCHEMBL13366831 0.92 NPSR1 (0.68) NPSR1KDM4EHPGDMAPTNPC1
Tegavivint SCHEMBL14947676 0.92 NPSR1 (0.68) NPSR1KDM4EHPGDMAPTNPC1
SCHEMBL20302801 0.89 KDM4E (0.72) NPSR1KDM4EHPGDMAPTNPC1
SCHEMBL18426421 0.87 NPSR1 (0.62) NPSR1KDM4EHPGDMAPTNPC1
SCHEMBL18422347 0.83 MAPT (0.58) NPSR1KDM4EHPGDMAPTNPC1

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-20230190659-A1 FORMULATIONS OF TEGAVIVINT Iterion Therapeutics, Inc. 2023-06-22 — — US disclosed
US-20230190659-A1 FORMULATIONS OF TEGAVIVINT Iterion Therapeutics, Inc. 2023-06-22 — — US disclosed
US-8129519-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof ALLERGAN SALES, LLC 2012-03-06 — — US disclosed
US-8129519-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof ALLERGAN SALES, LLC 2012-03-06 — — 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 (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-20230190659-A1 FORMULATIONS OF TEGAVIVINT TTPA, CCNT2, XPOT NPSR1 3848/4885KDM4E 1126/4885HPGD 194/4885

“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.

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