SCHEMBL4649684

SCHEMBL4649684

Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.54
APP P05067 1/20 0.53
CCR2 P41597 5/20 0.52
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 1/20 0.50
METAP2 P50579 1/20 0.50
CCR9 P51686 1/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49

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
SCHEMBL4651006 0.89 APP (0.57) SLC22A12APPCCR2LMNAHTT
SCHEMBL29083805 0.86 APP (0.53) APPCCR2LMNAHTTTP53
SCHEMBL30595273 0.86 APP (0.53) APPCCR2LMNAHTTTP53
SCHEMBL4649541 0.85 HSD17B2 (0.67) SLC22A12CCR2CCR9
SCHEMBL4650211 0.83 SLC22A12 (0.63) SLC22A12CCR2LMNACCR9
SCHEMBL30949870 0.82 ALDH1A1 (0.54) LMNAHTTMAPTALDH1A1GAA
SCHEMBL22654320 0.82 ALDH1A1 (0.54) LMNAHTTMAPTALDH1A1GAA
SCHEMBL5956021 0.82 APP (0.66) APPCCR2LMNAHTTTP53
SCHEMBL2011316 0.81 FFAR4 (0.52) SLC22A12KMT2AFFAR4
SCHEMBL26537094 0.80 SLC22A12 (0.57) SLC22A12LMNAHTTTP53MAPT

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 4 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
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 SLC22A12 2675/4885APP 3916/4885CCR2 9/4885

“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.