SCHEMBL4474238

SCHEMBL4474238

CC(=O)Nc1nc2ccc(S(=O)(=O)Cl)cc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.52
AKT1 P31749 1/20 0.52
MTOR P42345 1/20 0.52
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
FBP1 P09467 5/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RCE1 Q9Y256 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NR4A2 P43354 1/20 0.38

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
SCHEMBL15355870 0.80 S1PR3 (0.44) MEN1KMT2AFBP1MAPTHPGD
SCHEMBL9380371 0.79 PIK3CA (0.51) PIK3CAAKT1MTORRAB9AMEN1
SCHEMBL15450923 0.79 PIK3CA (0.51) PIK3CAAKT1MTORRAB9AMEN1
SCHEMBL7898012 0.78 PIK3CA (0.48) PIK3CAAKT1MTORRAB9AMEN1
SCHEMBL29957899 0.78 PIK3CA (0.48) PIK3CAAKT1MTORRAB9AMEN1
SCHEMBL7901113 0.77 NPC1 (0.50) PIK3CAAKT1MTORRAB9AMEN1
SCHEMBL610347 0.75 POLB (0.46) FBP1LMNAMAPTKDM4EALDH1A1
SCHEMBL10896219 0.75 STS (0.37) RAB9AMEN1KMT2ANPC1FBP1
SCHEMBL18708698 0.75 NPC1 (0.52) PIK3CAAKT1MTORRAB9AMEN1
SCHEMBL21389696 0.75 PIK3CA (0.48) PIK3CAAKT1MTORRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595334-B2 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-09-29 US disclosed
US-7244752-B2 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-17 US disclosed
US-20070135447-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication SURLERAUX DOMINIQUE LOUIS N G 2007-06-14 US disclosed
US-20040132791-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-07-08 US disclosed
EP-1397367-A2 BROADSPECTRUM 2-(SUBSTITUTED-AMINO)-BENZOXAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2004-03-17 EP disclosed
WO-2002081478-A2 BROADSPECTRUM 2-(SUBSTITUTED-AMINO)-BENZOXAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2002-10-17 WO 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-20070135447-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication NR0B1, NR0B2, NR2C2 PIK3CA 2741/4885AKT1 1606/4885MTOR 3545/4885
US-20040132791-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication ALOX15B, CYP2B6, ALOX12 PIK3CA 3358/4885AKT1 1688/4885MTOR 3681/4885

“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.