SCHEMBL4077665

SCHEMBL4077665

O=S(=O)(NCC1CCCO1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
NR2F2 P24468 1/20 0.78
RAB9A P51151 1/20 0.78
LMNA P02545 6/20 0.78
HTT P42858 3/20 0.78
MEN1 O00255 1/20 0.78
KMT2A Q03164 1/20 0.78
CXCR4 P61073 1/20 0.72
TSHR P16473 2/20 0.70
NPSR1 Q6W5P4 1/20 0.70
SLC12A2 P55011 1/20 0.69
SLC12A5 Q9H2X9 1/20 0.69
PKM P14618 1/20 0.68
HPGD P15428 1/20 0.64

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
SCHEMBL1874466 0.95 LMNA (0.72) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL13297977 0.85 SLC12A2 (0.92) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL3079952 0.85 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL28001439 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL19264910 0.85 SLC12A2 (0.92) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL4763389 0.85 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL1423782 0.85 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL22639673 0.84 LMNA (1.00) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL22639799 0.84 LMNA (1.00) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL10282764 0.83 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP claimed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO claimed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 US disclosed
EP-3134397-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2017-03-01 EP disclosed
EP-3134396-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2017-03-01 EP disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 US disclosed
WO-2015162459-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-29 WO disclosed
WO-2015162456-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-29 WO disclosed
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP disclosed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO disclosed
EP-1307458-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-05-07 EP disclosed
WO-2002012246-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2002-02-14 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 (2 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-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B ALDH1A1 3615/4885SMN1; SMN2 4128/4885NR2F2 4001/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B ALDH1A1 3615/4885SMN1; SMN2 4128/4885NR2F2 4001/4885

“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.