SCHEMBL3146545

SCHEMBL3146545

CCOC(=O)CC(=O)NS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
DHFR P00374 1/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
FBP1 P09467 1/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL10165528 0.84 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL15650208 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL3152558 0.81 KMT2A (0.62) ALDH1A1TDP1KMT2ALMNAMEN1
SCHEMBL23703133 0.80 KMT2A (0.73) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL5458800 0.80 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL4464537 0.77 CA1 (0.70) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL21082820 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL3152499 0.77 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL11429211 0.76 TSHR (0.69) ALDH1A1SMN1; SMN2TSHRTDP1KMT2A
SCHEMBL8198870 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2DHFRTSHRTDP1

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
EP-1313699-B1 5-ASA DERIVATIVES HAVING ANTI-INFLAMMATORY AND ANTIBIOTIC ACTIVITY AND METHODS OF TREATING DISEASES THEREWITH BIOCON LTD (IN) 2010-03-10 EP disclosed
EP-1313699-A1 5-ASA DERIVATIVES HAVING ANTI-INFLAMMATORY AND ANTIBIOTIC ACTIVITY AND METHODS OF TREATING DISEASES THEREWITH Nobex Corporation (US) 2003-05-28 EP disclosed
US-6458776-B1 INFLAMMATORY BOWEL DISEASE NOBEX CORPORATION 2002-10-01 US disclosed
US-20020111334-A1 5-ASA derivatives having anti-inflammatory and antibiotic activity and methods of treating diseases therewith BIOCON LIMITED (IN) 2002-08-15 US disclosed
WO-2002018330-A1 5-ASA DERIVATIVES HAVING ANTI-INFLAMMATORY AND ANTIBIOTIC ACTIVITY AND METHODS OF TREATING DISEASES THEREWITH NOBEX CORPORATION (US) 2002-03-07 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 (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-20020111334-A1 5-ASA derivatives having anti-inflammatory and antibiotic activity and methods of treating diseases therewith SLC30A5, SI, ABCB11 ALDH1A1 164/4885SMN1; SMN2 1755/4885DHFR 132/4885

“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.