SCHEMBL1891073

SCHEMBL1891073

COc1cc(Cl)ccc1C(N)=O.O=S(=O)(O)c1ccc(N2CCC3(CC2)OCCCO3)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.38
ALDH1A1 P00352 7/20 0.38
HTT P42858 1/20 0.38
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
CNR1 P21554 1/20 0.37
KCNJ1 P48048 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4370313 0.88 FLT1 (0.43) CCR9ALDH1A1FLT1FLT4KDR
SCHEMBL4370237 0.87 KMT2A (0.43) CCR9ALDH1A1FLT1FLT4KDR
SCHEMBL1891071 0.86 FLT1 (0.54) CCR9ALDH1A1HTTFLT1FLT4
SCHEMBL1887850 0.85 L3MBTL1 (0.40) CCR9ALDH1A1KDM4EPOLBGAA
SCHEMBL4371955 0.83 FLT1 (0.41) CCR9ALDH1A1FLT1FLT4KDR
SCHEMBL4374520 0.83 CA12 (0.43) ALDH1A1FLT1FLT4KDRCNR1
SCHEMBL4370393 0.82 CA12 (0.42) ALDH1A1FLT1FLT4KDRCNR1
SCHEMBL1884480 0.82 TSHR (0.46) ALDH1A1HTTKDM4ECYP1A2CYP2C9
SCHEMBL1883207 0.81 RPS6KB1 (0.49) ALDH1A1HTTKDM4ECYP1A2CYP2C9
SCHEMBL1891647 0.80 LMNA (0.48) SMN1; SMN2RAB9ALMNA

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-7939532-B2 Heterocyclyl pyridyl sulfonamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US claimed
US-20100292247-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
EP-2079719-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-22 EP claimed
WO-2008049605-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO claimed
US-7939532-B2 Heterocyclyl pyridyl sulfonamide derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-20100292247-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US disclosed
EP-2079719-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-22 EP disclosed
WO-2008049605-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO 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-20100292247-A1 HETEROCYCLYL PYRIDYL SULFONAMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS STS, TPMT, DPYD CCR9 3679/4885ALDH1A1 392/4885HTT 3159/4885

“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.