SCHEMBL3113100

SCHEMBL3113100

Cc1ccc(S(=O)(=O)O)c(C(C)C2CCN(c3nnnn3C(C)C)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX2 P34913 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
MDM2 Q00987 1/20 0.31
KMT2A Q03164 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.30

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
SCHEMBL3118454 0.89 ALDH1A1 (0.35) MCOLN2SMN1; SMN2ALDH1A1EPHX2NPSR1
SCHEMBL3125363 0.87 MEN1 (0.37) MCOLN2SMN1; SMN2ALDH1A1EPHX2NPSR1
SCHEMBL3113106 0.80 ADAMTS4 (0.40) MCOLN2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL348532 0.78 EPHX2 (0.35) SMN1; SMN2ALDH1A1EPHX2MEN1TSHR
SCHEMBL3123010 0.77 ALDH1A1 (0.32) MCOLN2SMN1; SMN2ALDH1A1NPSR1
SCHEMBL28426483 0.75 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1EPHX2MEN1TSHR
SCHEMBL3516005 0.75 EPHX2 (0.34) EPHX2
SCHEMBL28432841 0.74 TSHR (0.40) SMN1; SMN2ALDH1A1NPC1RAB9AEPHX2
SCHEMBL5115508 0.72 LMNA (0.40) SMN1; SMN2ALDH1A1NPC1RAB9AEPHX2
SCHEMBL24126984 0.70 TSHR (0.37) MCOLN2SMN1; SMN2ALDH1A1NPSR1MEN1

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
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 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

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-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 MCOLN2 2392/4885SMN1; SMN2 1282/4885ALDH1A1 201/4885

“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.