SCHEMBL2117571

SCHEMBL2117571

CCO[C](CC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
RAB9A P51151 1/20 0.42
PIN1 Q13526 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2122083 0.79 TSHR (0.47) MEN1KMT2AMAPTNPC1ATM
SCHEMBL2117787 0.79 TSHR (0.48) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL796953 0.76 TSHR (0.52) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL3992905 0.76 MEN1 (0.50) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL27879907 0.74 KMT2A (0.48) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL2122417 0.74 MEN1 (0.48) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL1273943 0.74 ESR1 (0.48) MEN1KMT2AMAPTNPC1ALDH1A1
Ethyl Benzoate SCHEMBL25388294 0.73 LMNA (0.70) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL1641519 0.73 ALDH1A1 (0.47) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL7675831 0.73 KMT2A (0.47) MEN1KMT2AMAPTNPC1ALDH1A1

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-8802895-B2 Amide derivatives of benzene-sulfonanilide, pharmaceutical composition thereof and method for cancer treatment using the same CLEVELAND STATE UNIVERSITY (US) 2014-08-12 US disclosed
EP-2629767-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME Cleveland State University (US) 2013-08-28 EP disclosed
WO-2012054417-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY (US) 2012-04-26 WO disclosed
US-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY 2012-04-19 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-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME RB1, BCR, NRAS MEN1 3550/4885KMT2A 394/4885MAPT 4774/4885

“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.