SCHEMBL3052170

SCHEMBL3052170

C=CCCCCCCOc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
CA12 O43570 8/20 0.43
CA9 Q16790 8/20 0.43
CA7 P43166 3/20 0.43
CA4 P22748 3/20 0.42
PDIA6 Q15084 1/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.40
PRSS1 P07477 4/20 0.39
CA14 Q9ULX7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL17138208 0.82 PRSS1 (0.46) TSHRPRSS1ALDH1A1L3MBTL1
SCHEMBL17138168 0.80 KCNA3 (0.46) TSHRPRSS1ALDH1A1L3MBTL1
SCHEMBL3936854 0.78 CA1 (0.68) CA1CA2CA12CA9CA7
SCHEMBL8203219 0.77 CA2 (0.46) CA1CA2CA12CA9CA4
SCHEMBL3759807 0.75 PRSS1 (0.42) TSHRPRSS1ALDH1A1
SCHEMBL3764561 0.75 PRSS1 (0.42) TSHRPRSS1ALDH1A1
SCHEMBL201096 0.75 PRSS1 (0.56) PRSS1ALDH1A1L3MBTL1
SCHEMBL201121 0.75 PRSS1 (0.56) PRSS1ALDH1A1L3MBTL1
SCHEMBL17138189 0.75 ALDH1A1 (0.51) TSHRPRSS1ALDH1A1L3MBTL1
SCHEMBL3186986 0.74 KMT2A (0.61) POLBPRSS1ALDH1A1L3MBTL1

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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
EP-2066688-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 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-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 CA1 2516/4885CA2 1716/4885CA12 886/4885

“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.