SCHEMBL497462

SCHEMBL497462

N[C@@H](Cc1cnc(-c2cccs2)[nH]1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.43
CYP3A4 P08684 1/20 0.43
PDE10A Q9Y233 2/20 0.42
NTRK1 P04629 1/20 0.40
ERCC1 P07992 2/20 0.40
FEN1 P39748 2/20 0.40
ERCC4 Q92889 2/20 0.40
PKM P14618 2/20 0.39
ALPI P09923 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
GRK6 P43250 1/20 0.38
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGDS O60760 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PBK Q96KB5 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL28061565 1.00 SLC7A5 (0.43) SLC7A5CYP3A4PDE10ANTRK1ERCC1
SCHEMBL28061540 0.88 PDE10A (0.41) PDE10ANTRK1ERCC1FEN1ERCC4
SCHEMBL25754931 0.72 PIN1 (0.58) CYP3A4ERCC1FEN1ERCC4PKM
SCHEMBL13095827 0.71 SLC7A5 (0.54) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL59810 0.71 SLC7A5 (0.54) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL5289317 0.71 SLC7A5 (0.54) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL4854900 0.71 SLC7A5 (0.54) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL59078 0.71 SLC7A5 (0.54) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL22403244 0.71 SLC7A5 (0.50) SLC7A5CYP3A4PKMALPIPTGS1
SCHEMBL8957140 0.70 SLC7A5 (0.54) SLC7A5CYP3A4PKMALPIPTGS1

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 402 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988312-A A kind of poly amic acid ester, preparation method and negative polyimide composition and application 深圳先进技术研究院 2019-07-09 CN claimed
CN-109946925-A A kind of compound is promoting the application in polyimides low-temperature setting, polyimide precursor composition and application thereof 深圳先进技术研究院 2019-06-28 CN claimed
CN-102596915-B The synthetic method of 2-thiolhistidine and analogue TETRAHEDRON (FR) 2016-04-20 CN claimed
US-20090281093-A1 ANTI-INFLAMMATORY COMPOUNDS C.T.G. PHARMA S.R.L. (IT) 2009-11-12 US claimed
US-20090275539-A1 Nuclear Transcription Factors Regulators CTG PHARMA S.R.L. (IT) 2009-11-05 US claimed
US-20090227597-A1 PYRAZOLOPYRIMIDINONES AS PHOSPHODIESTERASE INHIBITORS CTG PHARMA S.R.L. (IT) 2009-09-10 US claimed
US-20080207751-A1 Sulindac Derivatives for Treatment of Cancer SULFIDRIS S.R.L. (IT) 2008-08-28 US claimed
EP-1904440-A1 SULINDAC DERIVATIVES FOR TREATMENT OF CANCER Sulfidris S.r.l. (IT) 2008-04-02 EP claimed
EP-1871360-A1 NEW ANTI-INFLAMMATORY COMPOUNDS CTG Pharma S.r.l. (IT) 2008-01-02 EP claimed
WO-2006134489-A1 SULINDAC DERIVATIVES FOR TREATMENT OF CANCER SULFIDRIS S.R.L. (IT) 2006-12-21 WO claimed
WO-2006111791-A1 NEW ANTI-INFLAMMATORY COMPOUNDS CTG PHARMA S.R.L. (IT) 2006-10-26 WO claimed
WO-2006037623-A2 NEW NUCLEAR TRANSCRIPTION FACTORS REGULATORS CTG PHARMA S.R.L. (IT) 2006-04-13 WO claimed
EP-1645288-A1 New nuclear transcription factors regulators CTG Pharma S.r.l. (IT) 2006-04-12 EP claimed
EP-1630164-A1 Pyrazolopyrimidinones as phosphodiesterase inhibitors Expotrend Company SA (CH) 2006-03-01 EP claimed
WO-1995029930-A2 IMPROVED METHOD FOR OLIGONUCLEOTIDE ANALOG SYNTHESIS GILEAD SCIENCES, INC. (US) 1995-11-09 WO claimed
JP-58216192-A None JP disclosed
JP-58219186-A None JP disclosed
JP-S58216192-A NOVEL PENICILLIN COMPOUND ASAHI CHEM IND CO LTD 1983-12-15 JP disclosed
EP-0068403-A2 Cephalosporin compound Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-01-05 EP disclosed
JP-S57212189-A NOVEL CEPHALOSPORIN COMPOUND ASAHI CHEM IND CO LTD 1982-12-27 JP 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-20080207751-A1 Sulindac Derivatives for Treatment of Cancer PTGES3, PTGES2, PTGS1 SLC7A5 2938/4885CYP3A4 395/4885PDE10A 2528/4885
US-20090227597-A1 PYRAZOLOPYRIMIDINONES AS PHOSPHODIESTERASE INHIBITORS PDE3A, PDE3B, PDE2A SLC7A5 2628/4885CYP3A4 1082/4885PDE10A 57/4885

“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.