SCHEMBL2118326

SCHEMBL2118326

CO[C](OC)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
TSHR P16473 2/20 0.43
ACHE P22303 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 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
SCHEMBL1733881 0.81 TRPA1 (0.44) NPC1RAB9AHPGDTSHRLMNA
SCHEMBL19412006 0.80 NPC1 (0.46) NPC1RAB9AHPGDERCC5FEN1
SCHEMBL8701488 0.76 ALDH1A1 (0.45) NPC1RAB9AHPGDERCC5FEN1
SCHEMBL2116817 0.76 TSHR (0.54) NPC1RAB9AERCC5FEN1TSHR
SCHEMBL29702037 0.76 TSHR (0.63) NPC1RAB9AHPGDERCC5FEN1
SCHEMBL101601 0.76 TSHR (0.63) NPC1RAB9AHPGDERCC5FEN1
SCHEMBL29716616 0.76 ALDH1A1 (0.45) NPC1RAB9AHPGDERCC5FEN1
SCHEMBL12980713 0.75 LMNA (0.61) NPC1RAB9AHPGDTSHRLMNA
Hydrochloric Acid SCHEMBL17476094 0.75 TSHR (0.61) NPC1RAB9AHPGDTSHRLMNA
SCHEMBL15018447 0.75 TSHR (0.61) NPC1RAB9AHPGDTSHRLMNA

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-5106807-A Coordination catalysts comprising a dihydrocarbylethermethyl silane, a titanium halide and a magnesium halide support; stereospecific HIMONT INCORPORATED (US) 1992-04-21 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 NPC1 4078/4885RAB9A 1346/4885HPGD 2041/4885

“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.