SCHEMBL3872479

SCHEMBL3872479

C#CCNS(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 4/20 0.48
CCR4 P51679 7/20 0.47
SLC6A9 P48067 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
FPR2 P25090 1/20 0.44
MTOR P42345 1/20 0.44
CSNK1A1 P48729 1/20 0.44
MYLK Q15746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL31592624 0.86 ALDH1A1 (0.46) PGRCYP3A4CYP1A2CYP2C19KDM4E
SCHEMBL4962339 0.84 CA12 (0.55) PTGES2CCR4SLC6A9PGRCYP3A4
SCHEMBL3866425 0.84 CYP3A4 (0.49) PTGES2CCR4SLC6A9PGRCYP3A4
SCHEMBL2372746 0.77 PTGES2 (0.54) PTGES2CCR4PGRTSHRMCOLN3
SCHEMBL9577190 0.76 CYP3A4 (0.72) CCR4CYP3A4CYP1A2CYP2C19KDM4E
SCHEMBL4815020 0.76 PKM (0.49) KDM4ETP53KMT2ATDP1ALDH1A1
SCHEMBL5012475 0.75 SCN1A (0.55) SLC6A9CYP3A4CYP1A2CYP2C19KDM4E
SCHEMBL4029106 0.75 PTGES2 (0.47) PTGES2CCR4SLC6A9PGRCYP3A4
SCHEMBL9577205 0.75 CYP3A4 (0.75) CCR4CYP3A4CYP1A2CYP2C19KDM4E
SCHEMBL4818467 0.75 GBA1 (0.51) TP53MEN1TSHRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
EP-1873159-A1 Substituted sulphonamido-macrocycles as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed
EP-1873159-A1 Substituted sulphonamido-macrocycles as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed
WO-2007147575-A2 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISINGS SAME, METHODS OF PREPARING SAME AND USES SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 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-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME TIE1, KDR, TEK PTGES2 664/4885CCR4 3004/4885SLC6A9 2239/4885

“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.