SCHEMBL7786895

SCHEMBL7786895

CSc1ccc(CCS(=O)(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA4 P22748 1/20 0.45
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 4/20 0.41
SLC6A4 P31645 7/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOA P21397 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 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
SCHEMBL11121018 0.81 CA12 (0.38) CA12CA1CA2CA9CA4
SCHEMBL3888825 0.78 KMT2A (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL14381986 0.78 EGFR (0.47) CA2MMP12MMP13ALDH1A1S1PR2
SCHEMBL9653975 0.75 RECQL (0.41) CA12CA1CA2CA9CA4
SCHEMBL8145771 0.75 ESR1 (0.56) CA1CA2ALDH1A1SLC6A4HSD17B10
SCHEMBL7786897 0.74 ALDH1A1 (0.46) CA12CA1CA2CA9CA4
SCHEMBL3850380 0.74 ENPP2 (0.48) CA12CA1CA2CA9CA4
SCHEMBL22964179 0.74 CA2 (0.44) CA12CA1CA2ALDH1A1LMNA
SCHEMBL8899345 0.74 RECQL (0.64) CA12CA1CA2CA9CA4
SCHEMBL778326 0.74 TAAR1 (0.46) CA12CA1CA2CA9CA4

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
CN-1088855-C Oximesulfonic acid esters and use thereof as latent sulfonic acids CIBA SC HOLDING AG (CH) 2002-08-07 CN disclosed
US-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US disclosed
US-6017675-A POLYMERIZATION CATALYST CIBA SPECIALTY CHEMIALS CORPORATION (US) 2000-01-25 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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids QSOX1, HAO2, PAH CA12 419/4885CA1 442/4885CA2 220/4885

“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.