SCHEMBL20021989

SCHEMBL20021989

CCN(CC)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 3/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 4/20 0.58
HTT P42858 3/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SERPINE1 P05121 1/20 0.50

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
SCHEMBL5880395 0.84 SMN1; SMN2 (0.55) CNR2SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL28584183 0.84 CNR2 (0.51) CNR2SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL20021985 0.83 SLC6A2 (0.60) CNR2SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL11652623 0.83 SERPINE1 (0.55) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL8911305 0.81 SLC6A2 (0.54) CNR2SMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL29964126 0.79 NPC1 (0.61) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL29212110 0.79 NPC1 (0.61) SMN1; SMN2ALDH1A1LMNAHTTNPC1
SCHEMBL4629467 0.77 GAA (0.61) CNR2ALDH1A1TSHRLMNAHTT
SCHEMBL4739318 0.77 CNR2 (0.59) CNR2ALDH1A1PLA2G1BATG4BRXFP1
SCHEMBL2058156 0.77 LMNA (0.70) CNR2SMN1; SMN2ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-06-24 US disclosed
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 US disclosed
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-04-05 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 (2 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-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, NR0B1, NCOA3 CNR2 1249/4885SMN1; SMN2 4723/4885ALDH1A1 2155/4885
US-20180093960-A1 METHOD OF INHIBITING APOLIPOPROTEIN-E EXPRESSION WHILE INCREASING EXPRESSION OF AT LEAST ONE OF LDL-RECEPTOR PROTEIN OR ABCA1 PROTEIN COMPRISING ADMINISTERING A SMALL COMPOUND LDLR, APOB, NR1H2 CNR2 2757/4885SMN1; SMN2 4681/4885ALDH1A1 3152/4885

“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.