SCHEMBL4366388

SCHEMBL4366388

CC1CCN(c2ccc(S(=O)(=O)NC(=O)c3ccc(F)cc3C(F)(F)F)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.48
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
SCD O00767 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPY2R P49146 1/20 0.41
AR P10275 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
TRPV1 Q8NER1 2/20 0.41

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
SCHEMBL4378383 0.90 FLT1 (0.51) FLT1FLT4KDRGPR119ALDH1A1
SCHEMBL4371599 0.90 FLT1 (0.46) WDR5FLT1FLT4KDRSCD
SCHEMBL4368503 0.89 FLT1 (0.45) WDR5FLT1FLT4KDRSCD
SCHEMBL4370988 0.87 WDR5 (0.53) WDR5FLT1FLT4KDRALDH1A1
SCHEMBL1883784 0.87 WDR5 (0.45) WDR5FLT1FLT4KDRSCD
SCHEMBL4370144 0.87 FLT1 (0.49) FLT1FLT4KDRGPR119ALDH1A1
SCHEMBL4372074 0.87 FLT1 (0.44) WDR5FLT1FLT4KDRSCD
SCHEMBL1883507 0.85 WDR5 (0.48) WDR5FLT1FLT4KDRSCD
SCHEMBL1888249 0.85 WDR5 (0.44) WDR5FLT1FLT4KDRSCD
SCHEMBL1885489 0.85 POLB (0.48) WDR5FLT1FLT4KDRALDH1A1

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-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 US claimed
US-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent HOFFMANN-LA ROCHE INC. 2007-05-31 US claimed
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 US disclosed
US-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent HOFFMANN-LA ROCHE INC. 2007-05-31 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-20070123513-A1 6-thiomorpholin-4-yl-pyridine-3-sulfonic acid 4-chloro-2-methoxy-benzoylamide; ammonium salt of3-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-sulfonic acid 4-chloro-2-methoxy-benzoylamide; anticarcinogenic agent TPMT, BPNT1, SLC6A3 WDR5 2226/4885FLT1 4752/4885FLT4 4294/4885

“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.