SCHEMBL2118533

SCHEMBL2118533

CCO[C](OCC)c1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
CTSD P07339 1/20 0.50
MEN1 O00255 1/20 0.50
PLIN1 O60240 1/20 0.50
POLB P06746 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 3/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 3/20 0.45

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
SCHEMBL973270 0.84 HCRTR1 (0.54) MAPTKMT2ALMNAMEN1TSHR
SCHEMBL10668614 0.81 MAPT (0.47) MAPTKMT2ALMNACTSDMEN1
SCHEMBL29678391 0.81 TSHR (0.71) MAPTKMT2ALMNACTSDMEN1
SCHEMBL873499 0.81 TSHR (0.71) MAPTKMT2ALMNACTSDMEN1
Hydrochloric Acid SCHEMBL4693594 0.79 MAPT (0.46) MAPTKMT2ALMNACTSDMEN1
SCHEMBL868887 0.79 CTSD (0.57) MAPTLMNACTSDTSHRCA12
SCHEMBL4589656 0.78 KMT2A (0.60) MAPTKMT2ALMNACTSDMEN1
SCHEMBL30322741 0.78 KMT2A (0.60) MAPTKMT2ALMNACTSDMEN1
SCHEMBL2116817 0.77 TSHR (0.54) KMT2AMEN1POLBTSHRNPC1
SCHEMBL9348510 0.77 MAPT (0.48) MAPTKMT2ALMNACTSDMEN1

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 MAPT 4774/4885KMT2A 394/4885LMNA 3277/4885

“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.