SCHEMBL5369435

SCHEMBL5369435

CCCN(c1ccccc1)S(=O)(=O)CC#N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KCNA5 P22460 2/20 0.41
KCNN4 O15554 1/20 0.41
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NR3C2 P08235 1/20 0.36
DRD3 P35462 1/20 0.35
GRM2 Q14416 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL17333403 0.84 ESR1 (0.60) ESR1KMT2AMEN1KCNA5TP53
SCHEMBL15672925 0.81 ESR1 (0.57) ESR1KMT2AMEN1KCNA5TP53
SCHEMBL28805129 0.80 HSP90AA1 (0.35) ESR1KMT2ATSHRMAPK1HSD17B10
SCHEMBL17333633 0.80 ESR1 (0.55) ESR1KMT2AMEN1KCNA5TP53
SCHEMBL17333393 0.78 ESR1 (0.54) ESR1KMT2AMEN1KCNA5TP53
SCHEMBL17333701 0.78 ESR1 (0.54) ESR1KMT2AMEN1KCNA5TP53
SCHEMBL17333608 0.77 HSP90AA1 (0.54) ESR1KMT2AMEN1TP53TSHR
SCHEMBL17333618 0.75 ESR1 (0.58) ESR1KMT2AMEN1KCNA5TP53
SCHEMBL17333563 0.75 ESR1 (0.51) ESR1KMT2AMEN1KCNA5TP53
SCHEMBL17333461 0.75 ESR1 (0.51) ESR1KMT2AMEN1KCNA5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217737-B2 Method and compositions for inhibiting cell proliferative disorders YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-05-15 US disclosed
US-20040242684-A1 Method and compositions for inhibiting cell proliferative disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 2004-12-02 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-20040242684-A1 Method and compositions for inhibiting cell proliferative disorders ERBB2, EGFR, MKI67 ESR1 835/4885KMT2A 1810/4885MEN1 2723/4885

“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.