SCHEMBL4380244

SCHEMBL4380244

CC1CCCN(c2ccc(S(=O)(=O)NC(=O)c3ccc(Cl)cc3C(F)(F)F)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.48
FLT4 P35916 3/20 0.48
KDR P35968 3/20 0.48
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
TRPV1 Q8NER1 1/20 0.43
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 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) FLT1FLT4KDRCA12CA1
SCHEMBL4379870 0.89 FLT1 (0.51) FLT1FLT4KDR
SCHEMBL4373800 0.89 FLT1 (0.55) FLT1FLT4KDRCA12CA1
SCHEMBL4370327 0.88 FLT1 (0.54) FLT1FLT4KDRCA12CA1
SCHEMBL4380239 0.86 CA12 (0.46) CA12CA1CA2CA4CA7
SCHEMBL4370325 0.86 FLT1 (0.56) FLT1FLT4KDRCA12CA1
SCHEMBL4375671 0.85 FLT1 (0.50) FLT1FLT4KDRCA12CA1
SCHEMBL4378349 0.85 FLT1 (0.50) FLT1FLT4KDRCA12CA1
SCHEMBL4373689 0.84 FLT1 (0.48) FLT1FLT4KDRCA12CA1
SCHEMBL4371948 0.84 FLT1 (0.46) FLT1FLT4KDRCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FLT1 4752/4885FLT4 4294/4885KDR 4767/4885

“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.