SCHEMBL4371082

SCHEMBL4371082

Cc1cc(Br)ccc1C(N)=O.O=S(=O)(O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 4/20 0.48
AKR1C3 P42330 1/20 0.46
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.43
CCR9 P51686 1/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
JAK2 O60674 1/20 0.40
NAMPT P43490 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
MLNR O43193 2/20 0.39

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
SCHEMBL4373417 0.90 SMN1; SMN2 (0.52) HSD17B10ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL4370076 0.88 CCR9 (0.53) HSD17B10ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL4370141 0.88 ALDH1A1 (0.48) HSD17B10ALDH1A1AKR1C3GAASMN1; SMN2
SCHEMBL4381242 0.86 GAA (0.50) HSD17B10ALDH1A1AKR1C3GAASMN1; SMN2
SCHEMBL4371078 0.83 FLT1 (0.54) HSD17B10ALDH1A1AKR1C3GAASMN1; SMN2
SCHEMBL4373358 0.82 ALDH1A1 (0.48) HSD17B10ALDH1A1AKR1C3GAASMN1; SMN2
SCHEMBL4370275 0.82 ALDH1A1 (0.52) HSD17B10ALDH1A1AKR1C3GAASMN1; SMN2
SCHEMBL4370241 0.80 ALDH1A1 (0.58) HSD17B10ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL2651145 0.79 ALDH1A1 (0.73) HSD17B10ALDH1A1AKR1C3GAASMN1; SMN2
SCHEMBL4371946 0.78 ALDH1A1 (0.52) HSD17B10ALDH1A1GAASMN1; SMN2CCR9

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 8 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
EP-1960361-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP claimed
WO-2007059872-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F. HOFFMNN-LA ROCHE AG (CH) 2007-05-31 WO 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
EP-1960361-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007059872-A1 PYRIDYLSULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTINEOPLASTIC AGENTS F. HOFFMNN-LA ROCHE AG (CH) 2007-05-31 WO 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 HSD17B10 3312/4885ALDH1A1 1180/4885AKR1C3 970/4885

“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.