SCHEMBL4649581

SCHEMBL4649581

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.63
UQCRB P14927 1/20 0.63
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
SLC22A12 Q96S37 1/20 0.56
PSD A5PKW4 1/20 0.54
GLO1 Q04760 1/20 0.52
CCR9 P51686 4/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
RXFP1 Q9HBX9 1/20 0.48
PGAM1 P18669 1/20 0.48

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
SCHEMBL4650328 0.86 SLC22A12 (0.63) HSD17B2UQCRBSLC22A12CCR9RXFP1
SCHEMBL7587850 0.85 HSD17B2 (0.79) HSD17B2UQCRBCA1CA2PSD
SCHEMBL6553546 0.84 LMNA (0.64) CA1CA2SLC22A12ALDH1A1RXFP1
SCHEMBL4651332 0.82 HSD17B2 (0.66) HSD17B2UQCRBCA1CA2CCR9
SCHEMBL4649541 0.81 HSD17B2 (0.67) HSD17B2SLC22A12CCR9
SCHEMBL2962212 0.81 HSD17B2 (0.63) HSD17B2SLC22A12CCR9
SCHEMBL8711719 0.80 STAT3 (0.65) ALDH1A1
SCHEMBL30100600 0.79 SLC16A3 (0.56) HSD17B2UQCRBCA1CA2PSD
SCHEMBL28929928 0.79 SLC16A3 (0.56) HSD17B2UQCRBCA1CA2PSD
SCHEMBL13412104 0.77 SLC22A12 (0.49) CA1CA2SLC22A12GLO1ALDH1A1

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-20080275114-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-11-06 US claimed
EP-1966131-A1 INHIBITORS OF CCR9 ACTIVITY Novartis Pharma AG (CH) 2008-09-10 EP claimed
WO-2007071443-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO claimed
US-20080275114-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-11-06 US disclosed
EP-1966131-A1 INHIBITORS OF CCR9 ACTIVITY Novartis Pharma AG (CH) 2008-09-10 EP disclosed
WO-2007071443-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 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-20080275114-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 HSD17B2 1512/4885UQCRB 3699/4885CA1 670/4885

“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.