SCHEMBL6840899

SCHEMBL6840899

C=C(C)C(=O)NC(C)(C)C(C)CN

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
RXFP1 Q9HBX9 1/20 0.32
PIK3CD O00329 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15019990 0.79 RXFP1 (0.34) TGFBR1RXFP1PIK3CDTDP1ALDH1A1
SCHEMBL6232122 0.78 PIK3CD (0.45) TGFBR1RXFP1PIK3CDTDP1KDM4E
SCHEMBL21252699 0.75 PIK3CD (0.34) TGFBR1RXFP1PIK3CDALDH1A1
SCHEMBL2392745 0.73 TGFBR1 (0.40) TGFBR1RXFP1KDM4EALDH1A1
Bromide SCHEMBL9456283 0.73 CA1 (0.38)
SCHEMBL491400 0.72 TDP1 (0.35) TGFBR1TDP1KDM4EALDH1A1
SCHEMBL9682306 0.71 RXFP1 (0.34) TGFBR1RXFP1PIK3CDTDP1ALDH1A1
SCHEMBL3422991 0.71 ALDH1A1 (0.34) TGFBR1TDP1ALDH1A1
SCHEMBL31616195 0.70 TGFBR1 (0.34) TGFBR1RXFP1
SCHEMBL11139937 0.69 TGFBR1 (0.32) TGFBR1TDP1

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-20040009145-A1 IONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. 2004-01-15 US disclosed
US-20020114774-A1 Ionic polymers as toxin-binding agents GELTEX PHARMACEUTICALS, INC. 2002-08-22 US disclosed
US-6290947-B1 IN ONE EMBODIMENT, THE POLYMER IS A COPOLYMER COMPRISING A MONOMER HAVING A PENDANT AMMONIUM GROUP AND A HYDROPHOBIC MONOMER. GELTEX PHARMACEUTICALS, INC. 2001-09-18 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 (2 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-20020114774-A1 Ionic polymers as toxin-binding agents PIGS, ANTXR2, MSN TGFBR1 3424/4885RXFP1 1745/4885PIK3CD 4246/4885
US-20040009145-A1 IONIC POLYMERS AS TOXIN-BINDING AGENTS PIGS, ANTXR2, MSN TGFBR1 3424/4885RXFP1 1745/4885PIK3CD 4246/4885

“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.