Sugi Predict

Sugi Predict / Compounds / SCHEMBL4839792

SCHEMBL4839792

SCHEMBL4839792

O=C(Nc1ccn(CC(=O)N2CCN(S(=O)(=O)c3nc4ccccc4s3)C(=O)C2)c(=O)n1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.56
▸ ABL1 P00519 2/20 0.44
▸ RIN1 Q13671 2/20 0.44
▸ ITGB3 P05106 2/20 0.37
▸ ITGAV P06756 2/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ TGM2 P21980 2/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4835055 0.93 RAB9A (0.49) RAB9AABL1RIN1ITGB3ITGAV
SCHEMBL4839938 0.90 ABL1 (0.47) RAB9AABL1RIN1L3MBTL1KDM4E
SCHEMBL4844713 0.89 RAB9A (0.45) RAB9AABL1RIN1MAPK1KDM4E
SCHEMBL4835901 0.88 RAB9A (0.42) RAB9AABL1RIN1MAPK1L3MBTL1
SCHEMBL4835671 0.88 RAB9A (0.42) RAB9AABL1RIN1MAPK1CSNK1D
SCHEMBL4864634 0.85 RAB9A (0.40) RAB9AABL1RIN1MAPK1L3MBTL1
SCHEMBL4845170 0.82 GALR3 (0.40) RAB9AITGB3ITGAVHDAC3HDAC4
SCHEMBL6108335 0.82 RAB9A (0.56) RAB9AABL1RIN1TGM2KDM4E
SCHEMBL4844727 0.81 MEN1 (0.39) RAB9AMAPK1KDM4EHPGDHSD17B10
SCHEMBL4844711 0.81 RAB9A (0.37) RAB9AITGB3ITGAVIRAK4CXCR3

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 RAB9A 3709/4885ABL1 2319/4885RIN1 2045/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885ABL1 2566/4885RIN1 1880/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885ABL1 2566/4885RIN1 1880/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL RAB9A 3709/4885ABL1 2254/4885RIN1 1765/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL RAB9A 3554/4885ABL1 2566/4885RIN1 1880/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 RAB9A 3805/4885ABL1 1741/4885RIN1 2592/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR RAB9A 3626/4885ABL1 2667/4885RIN1 1999/4885

“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.