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SCHEMBL4839459

SCHEMBL4839459

COc1ccc(COC(=O)Nc2ccn(CC(=O)N(CCNS(=O)(=O)c3nc4ccccc4s3)CC(=O)O)c(=O)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.44
▸ RIN1 Q13671 2/20 0.44
▸ RAB9A P51151 2/20 0.38
▸ PKM P14618 2/20 0.36
▸ MAPT P10636 6/20 0.35
▸ GLO1 Q04760 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 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
SCHEMBL3132617 0.94 ABL1 (0.41) ABL1RIN1RAB9APKMMAPT
SCHEMBL4838665 0.92 ABL1 (0.51) ABL1RIN1RAB9APKMMAPT
SCHEMBL4838083 0.87 ABL1 (0.38) ABL1RIN1RAB9AMAPTGLO1
SCHEMBL4865411 0.87 ABL1 (0.41) ABL1RIN1RAB9APKMMAPT
SCHEMBL4842968 0.86 MAPT (0.37) ABL1RIN1RAB9AMAPTALDH1A1
SCHEMBL4407963 0.86 ABL1 (0.48) ABL1RIN1RAB9APKMMAPT
SCHEMBL4835843 0.84 MAPT (0.36) ABL1RIN1RAB9AMAPT
SCHEMBL4838731 0.83 PKM (0.34) RAB9APKMMAPTGLO1POLB
SCHEMBL4834952 0.83 PKM (0.33) RAB9APKMMAPTGLO1POLB
SCHEMBL3132807 0.82 ABL1 (0.36) ABL1RIN1RAB9AMAPTGLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2045/4885RAB9A 3709/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL ABL1 2566/4885RIN1 1880/4885RAB9A 3554/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL ABL1 2566/4885RIN1 1880/4885RAB9A 3554/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL ABL1 2254/4885RIN1 1765/4885RAB9A 3709/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL ABL1 2566/4885RIN1 1880/4885RAB9A 3554/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 ABL1 1741/4885RIN1 2592/4885RAB9A 3805/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR ABL1 2667/4885RIN1 1999/4885RAB9A 3626/4885

“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.