SCHEMBL6845207

SCHEMBL6845207

CCCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)C1.CCCCNC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TGM2 P21980 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
EPHX2 P34913 1/20 0.38
USP5 P45974 1/20 0.38
POLB P06746 2/20 0.37
RECQL P46063 1/20 0.37
CCR2 P41597 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL3479964 0.99 MAPK9 (0.54) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3480010 0.98 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479846 0.98 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3480409 0.98 MAPK9 (0.53) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479911 0.98 MAPK9 (0.55) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479907 0.94 MAPK9 (0.57) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479861 0.93 MAPK9 (0.57) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479954 0.93 MAPK9 (0.57) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479962 0.93 MAPK9 (0.57) MAPK9MAPK10MEN1KMT2AALDH1A1
SCHEMBL3479996 0.93 MAPK9 (0.57) MAPK9MAPK10MEN1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077854-A1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moietties as inhibitors of protein junkinases MERCK SERONO SA (CH) 2004-04-22 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-20040077854-A1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moietties as inhibitors of protein junkinases MAPK1, MAP3K1, MAPKAPK2 MAPK9 9/4885MAPK10 80/4885MEN1 2351/4885

“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.