SCHEMBL2117787

SCHEMBL2117787

CC[C](OC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.46
CES1 P23141 3/20 0.45
CES2 O00748 2/20 0.45
KMT2A Q03164 2/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
AHR P35869 1/20 0.40
ELANE P08246 1/20 0.40
ESR1 P03372 2/20 0.39

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
SCHEMBL8408014 0.82 CES1 (0.48) TSHRATMCES1CES2KMT2A
SCHEMBL2117571 0.79 MEN1 (0.47) TSHRATMCES1CES2KMT2A
SCHEMBL580769 0.77 TSHR (0.45) TSHRCES1CES2KMT2AMAPT
SCHEMBL2122083 0.77 TSHR (0.47) TSHRATMCES1CES2KMT2A
SCHEMBL8193602 0.76 KMT2A (0.46) TSHRCES1CES2KMT2AHPGD
SCHEMBL7748561 0.76 KMT2A (0.64) TSHRCES1KMT2AHPGDMAPT
SCHEMBL7686596 0.74 TSHR (0.42) TSHRCES1KMT2AHPGDMAPT
SCHEMBL9311734 0.73 TSHR (0.45) TSHRATMCES1CES2KMT2A
Acetophenone SCHEMBL27399587 0.73 TSHR (0.50) TSHRCES1CES2KMT2AHPGD
Propiophenone SCHEMBL28510486 0.71 SMN1; SMN2 (0.62) TSHRCES1CES2KMT2AHPGD

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 5 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
US-5728875-A FUNGICIDES FOR CROPS FORMED BY AMIDATION AND OXIDATION NOVARTIS CORPORATION (US) 1998-03-17 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 TSHR 493/4885ATM 1340/4885CES1 1223/4885

“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.