Sugi Predict

Sugi Predict / Compounds / SCHEMBL4407963

SCHEMBL4407963

SCHEMBL4407963

CCOC(=O)CN(CCNS(=O)(=O)c1nc2ccccc2s1)C(=O)Cn1ccc(NC(=O)OCc2ccc(OC)c(OC)c2)nc1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.48
▸ RIN1 Q13671 2/20 0.48
▸ KDR P35968 2/20 0.38
▸ MAPT P10636 4/20 0.35
▸ RAB9A P51151 4/20 0.34
▸ GPX4 P36969 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NR2E3 Q9Y5X4 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4838665 0.94 ABL1 (0.51) ABL1RIN1KDRMAPTRAB9A
SCHEMBL3132617 0.93 ABL1 (0.41) ABL1RIN1KDRMAPTRAB9A
SCHEMBL3132807 0.89 ABL1 (0.36) ABL1RIN1MAPTRAB9ATP53
SCHEMBL4839459 0.86 ABL1 (0.44) ABL1RIN1MAPTRAB9ANPC1
SCHEMBL3137660 0.85 MAPT (0.37) ABL1RIN1KDRMAPTRAB9A
SCHEMBL3136193 0.84 MAPT (0.37) ABL1RIN1KDRMAPTRAB9A
SCHEMBL3137591 0.84 KDR (0.38) ABL1RIN1KDRMAPTRAB9A
SCHEMBL3133523 0.84 KDR (0.37) ABL1RIN1KDRMAPTGPX4
SCHEMBL4838083 0.82 ABL1 (0.38) ABL1RIN1MAPTRAB9ATP53
SCHEMBL4842968 0.79 MAPT (0.37) ABL1RIN1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174936-B1 PNA monomer and precursor PANAGENE INC (KR) 2013-09-04 — — EP disclosed
EP-1501812-B1 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2009-12-30 — — EP disclosed
US-7411065-B2 Peptide nucleic acid monomers: diphenylmethyl, benzyl, alkylthioalkyl, or phenylthioalkyl esters of N-(1-[4-(2-benzothiazolyl-, 2-benzoxazolyl-, 2-benzofuranyl- or 2-benzothiophenyl-sulfonyl)-3-piperazinon-1-ylcarbonylmethyl]pyrimidon-4-yl)carbamic acids PANAGENE, INC. (KR) 2008-08-12 — — US disclosed
US-7371860-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2008-05-13 — — US disclosed
US-7371859-B2 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields PANAGENE, INC. (KR) 2008-05-13 — — US disclosed
US-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 — — US disclosed
US-7145006-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-12-05 — — US disclosed
US-7125994-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-10-24 — — US disclosed
US-20060030709-A1 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields PANAGENE, INC. (KR) 2006-02-09 — — US disclosed
US-20060008835-A1 PNA monomer and precursor KIM SUNG K 2006-01-12 — — US disclosed
US-20060003374-A1 Method of making PNA oligomers KIM SUNG K 2006-01-05 — — US disclosed
US-20050283005-A1 PNA monomer and precursor KIM SUNG K 2005-12-22 — — US disclosed
US-6969766-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-29 — — US disclosed
US-20050250785-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 — — US disclosed
US-20050250786-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2005-11-10 — — US disclosed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 — — 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 (7 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-20060030709-A1 Peptide nucleic acid monomers; 1-(4-(benzothiazolyl-, benzoxazolyl-, benzofuranyl-, and benzothiophenyl- sulfonyl)piperidin-3-one-1-ylcarbonylmethyl)adenines; suitable for automatic and parallel synthesis; increased yields RNGTT, POLL, RNMT ABL1 2319/4885RIN1 2045/4885KDR 2819/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL ABL1 2566/4885RIN1 1880/4885KDR 2966/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL ABL1 2566/4885RIN1 1880/4885KDR 2966/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL ABL1 2254/4885RIN1 1765/4885KDR 3189/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL ABL1 2566/4885RIN1 1880/4885KDR 2966/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 ABL1 1741/4885RIN1 2592/4885KDR 1972/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR ABL1 2667/4885RIN1 1999/4885KDR 3058/4885

“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.