SCHEMBL6487444

SCHEMBL6487444

Cc1ccc(S(=O)(=O)N(C(C)Cl)C(C)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.52
MAPT P10636 2/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
C5AR1 P21730 1/20 0.47
GAA P10253 2/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
GLA P06280 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CNR2 P34972 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL1322704 0.80 AGER (0.52) AGERMAPTMCOLN3C5AR1GAA
SCHEMBL3983718 0.79 PKM (0.52) GAACA1CA2KEAP1NFE2L2
SCHEMBL12180441 0.75 AGER (0.71) AGERMAPTMCOLN3C5AR1GAA
SCHEMBL28258824 0.74 AGER (0.50) AGERMAPTMCOLN3C5AR1GAA
SCHEMBL5909694 0.74 AGER (0.46) AGERMAPTMCOLN3C5AR1GAA
Dichloramine-T SCHEMBL151251 0.74 MAPT (0.57) AGERMAPTMCOLN3C5AR1GAA
SCHEMBL3278846 0.73 AGER (0.53) AGERMAPTMCOLN3C5AR1GAA
SCHEMBL6990099 0.73 MAPT (0.61) AGERMAPTMCOLN3C5AR1GAA
Dichloramine-T SCHEMBL4275006 0.72 MAPT (0.55) AGERMAPTMCOLN3C5AR1GAA
SCHEMBL7092154 0.72 GAA (0.52) AGERMAPTGAACA12CA9

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-6916797-B2 α-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2005-07-12 US disclosed
US-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2003-11-27 US disclosed
EP-1242399-A1 $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB S.A. (BE) 2002-09-25 EP disclosed
WO-2001046167-A1 α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS UCB, S.A. (BE) 2001-06-28 WO disclosed
EP-1110958-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2001-06-27 EP 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-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists TACR1, TACR2, NPSR1 AGER 1440/4885MAPT 3788/4885MCOLN3 2213/4885

“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.