SCHEMBL13050437

SCHEMBL13050437

Cc1ccc(S(=O)(=O)OCCC2CCN(c3nnnn3C)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ PSMD10 O75832 1/20 0.36
▸ NMT1 P30419 2/20 0.35
▸ HPGDS O60760 2/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13519743 0.87 KMT2A (0.40) CYP2D6ALDH1A1MAPTMEN1KMT2A
SCHEMBL13519726 0.87 MEN1 (0.39) CYP2D6ALDH1A1HSD11B1CYP2C19MAPT
SCHEMBL13519727 0.86 KMT2A (0.37) CYP2D6ALDH1A1CYP3A4MAPTMEN1
SCHEMBL9674450 0.81 CYP2D6 (0.56) CYP2D6ALDH1A1KMT2ACYP1A2NMT1
SCHEMBL244134 0.78 CYP2D6 (0.43) CYP2D6ALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL27774197 0.78 ALDH1A1 (0.36) ALDH1A1HSD11B1MAPTMEN1KMT2A
SCHEMBL18595517 0.77 CYP2D6 (0.45) CYP2D6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16499820 0.76 ALDH1A1 (0.49) CYP2D6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16688895 0.76 CYP2D6 (0.42) CYP2D6ALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL336340 0.75 ALDH1A1 (0.44) CYP2D6ALDH1A1CYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 — — US disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 — — US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 — — US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 — — US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 — — US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 — — US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 — — US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 — — US disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 — — WO disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 — — US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 — — US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 — — 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 (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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 CYP2D6 1030/4885ALDH1A1 201/4885HSD11B1 1701/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 CYP2D6 1030/4885ALDH1A1 201/4885HSD11B1 1701/4885
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR CYP2D6 2642/4885ALDH1A1 515/4885HSD11B1 716/4885

“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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