Sugi Predict

Sugi Predict / Compounds / SCHEMBL3134597

SCHEMBL3134597

SCHEMBL3134597

O=C(O)CNCCNS(=O)(=O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ RAB9A P51151 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SCD O00767 1/20 0.37
▸ CASP6 P55212 1/20 0.37

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
SCHEMBL4846244 0.77 MMP2 (0.46) ALDH1A1CA2TBXA2R
SCHEMBL8232118 0.74 MAPT (0.47) ALDH1A1RAB9AGAANPC1CA1
SCHEMBL3132766 0.73 CA1 (0.51) ALDH1A1RAB9ANPC1CA1CA2
SCHEMBL4418224 0.71 CA1 (0.36) ALDH1A1CA1CA2TBXA2RLMNA
SCHEMBL14862829 0.71 MAPT (0.47) ALDH1A1RAB9AGAANPC1MEN1
SCHEMBL27603284 0.71 MEN1 (0.49) ALDH1A1RAB9AGAANPC1MEN1
SCHEMBL4424231 0.70 CA1 (0.35) ALDH1A1CA1CA2TBXA2RLMNA
SCHEMBL329399 0.69 MAPT (0.46) ALDH1A1RAB9AGAANPC1MEN1
SCHEMBL31665885 0.69 MAPT (0.46) ALDH1A1RAB9AGAANPC1MEN1
SCHEMBL8977438 0.69 NPC1 (0.56) ALDH1A1RAB9AGAANPC1MEN1

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 20 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-2174936-A1 PNA monomer and precursor Panagene, Inc. (KR) 2010-04-14 — — 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
CN-100347161-C PNA monomer and precursor PANAGENE INC (KR) 2007-11-07 — — CN 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
EP-1501812-A4 PNA MONOMER AND PRECURSOR PANAGENE INC (KR) 2006-05-24 — — EP 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-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
CN-1659153-A PNA monomer and precursor PANAGENE INC (KR) 2005-08-24 — — CN disclosed
EP-1501812-A1 PNA MONOMER AND PRECURSOR Panagene, Inc. (KR) 2005-02-02 — — EP disclosed
US-20030225252-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-12-04 — — US disclosed
WO-2003091231-A1 PNA MONOMER AND PRECURSOR PANAGENE, INC. (US) 2003-11-06 — — WO 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 (6 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 ALDH1A1 3058/4885RAB9A 3709/4885GAA 3954/4885
US-20050283005-A1 PNA monomer and precursor PNISR, RNGTT, POLL ALDH1A1 3966/4885RAB9A 3554/4885GAA 4042/4885
US-20050250785-A1 PNA monomer and precursor PNISR, RNGTT, POLL ALDH1A1 3966/4885RAB9A 3554/4885GAA 4042/4885
US-20030225252-A1 PNA monomer and precursor PNISR, RNGTT, NCL ALDH1A1 4151/4885RAB9A 3709/4885GAA 4262/4885
US-20060008835-A1 PNA monomer and precursor PNISR, RNGTT, POLL ALDH1A1 3966/4885RAB9A 3554/4885GAA 4042/4885
US-20050250786-A1 PNA monomer and precursor PNISR, RNGTT, NPR1 ALDH1A1 3448/4885RAB9A 3805/4885GAA 3814/4885

“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.