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Sugi Predict / Compounds / SCHEMBL4845170

SCHEMBL4845170

SCHEMBL4845170

O=C(Nc1ncnc2c1ncn2CC(=O)N1CCN(S(=O)(=O)c2nc3ccccc3s2)C(=O)C1)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GALR3 O60755 2/20 0.40
▸ NR2F2 P24468 2/20 0.40
▸ RAB9A P51151 1/20 0.38
▸ CXCR3 P49682 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ ITGB3 P05106 2/20 0.34
▸ ITGAV P06756 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC2 Q92769 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC10 Q969S8 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
SCHEMBL4843173 0.94 GALR3 (0.36) GALR3NR2F2RAB9AHDAC1HDAC6
SCHEMBL4843194 0.91 GALR3 (0.36) GALR3NR2F2RAB9AHTTL3MBTL1
SCHEMBL4845126 0.90 KMT2A (0.35) GALR3NR2F2RAB9ATDP1LMNA
SCHEMBL4838348 0.89 GALR3 (0.36) GALR3NR2F2RAB9APDE4APDE4B
SCHEMBL4842544 0.89 GALR3 (0.36) GALR3NR2F2PDE4APDE4BPDE4C
SCHEMBL4844711 0.87 RAB9A (0.37) GALR3NR2F2RAB9ACXCR3ITGB3
SCHEMBL611482 0.83 HDAC1 (0.34) RAB9AHDAC1HDAC2
SCHEMBL4845137 0.82 KMT2A (0.37) GALR3NR2F2RAB9ALMNAADORA1
SCHEMBL6108185 0.82 GALR3 (0.40) GALR3NR2F2RAB9ACXCR3PDE4A
SCHEMBL4839792 0.82 RAB9A (0.56) RAB9ACXCR3ITGB3ITGAVIRAK4

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 GALR3 3761/4885NR2F2 3364/4885RAB9A 3709/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL GALR3 2428/4885NR2F2 3993/4885RAB9A 3554/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL GALR3 2428/4885NR2F2 3993/4885RAB9A 3554/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL GALR3 2238/4885NR2F2 3367/4885RAB9A 3709/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL GALR3 2428/4885NR2F2 3993/4885RAB9A 3554/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 GALR3 2356/4885NR2F2 3847/4885RAB9A 3805/4885
US-20060003374-A1 Method of making PNA oligomers RNGTT, POLL, PNISR GALR3 1949/4885NR2F2 3790/4885RAB9A 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.