SCHEMBL2875767

SCHEMBL2875767

CC(C)(SSC(C)(C)C(N)C(=O)O)C(N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
PTGS1 P23219 1/20 0.54
TP53 P04637 1/20 0.36
KIF11 P52732 1/20 0.36
SLC7A5 Q01650 2/20 0.36
GRIK1 P39086 1/20 0.32
BHMT Q93088 3/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL12438551 1.00 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1TP53KIF11
SCHEMBL6234510 1.00 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1TP53KIF11
SCHEMBL6555262 1.00 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1TP53KIF11
SCHEMBL6501684 1.00 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1TP53KIF11
SCHEMBL19371196 0.88 ALDH1A1 (0.48) ALDH1A1MAPTPTGS1TP53KIF11
SCHEMBL7876560 0.82 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1KIF11SLC7A5
SCHEMBL7418366 0.82 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1KIF11SLC7A5
SCHEMBL7184921 0.82 ALDH1A1 (0.52) ALDH1A1MAPTPTGS1KIF11SLC7A5
SCHEMBL436388 0.80 PTGS1 (0.56) ALDH1A1MAPTPTGS1KIF11SLC7A5
SCHEMBL21443801 0.80 ALDH1A1 (0.50) ALDH1A1MAPTPTGS1KIF11SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2007092284-A2 LOW DOSE NO DONOR-CONTAINING TRANSDERMAL PATCH CURE THERAPEUCTICS, INC. (US) 2007-08-16 WO 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
WO-2006024453-A1 PYRAZOLOPYRIMIDINONES AS PHOSPHODIESTERASE INHIBITORS CTG PHARMA S.R.L. (IT) 2006-03-09 WO claimed
EP-1630164-A1 Pyrazolopyrimidinones as phosphodiesterase inhibitors Expotrend Company SA (CH) 2006-03-01 EP claimed
US-6743419-B1 APPLYING TO AREA OF MAMMALIAN SKIN NON-DEPILATORY COMPOSITION INCLUDING HAIR GROWTH REDUCING EFFECTIVE AMOUNT OF SELECTED SULFHYDRYL ACTIVE COMPOUND THE GILLETTE COMPANY 2004-06-01 US claimed
WO-2003099852-A2 PEPTIDE DERIVATIZATION PROCESS RESTORAGEN INC. (US) 2003-12-04 WO claimed
EP-0675712-B1 REDUCTION OF HAIR GROWTH EMPLOYING SULFHYDRYL REACTIVE COMPOUNDS GILLETTE CO (US) 2001-09-19 EP claimed
EP-0531031-B1 Compositions for use in cancer therapy HOLT JOHN ALFRED GORTON (AU) 1995-11-02 EP claimed
EP-0531031-A1 Compositions for use in cancer therapy Holt, John Alfred Gorton (AU) 1993-03-10 EP claimed
JP-7179336-A None JP disclosed
US-3992187-A TO INCREASE YIELD OF SUCROSE HAWAIIAN SUGAR PLANTERS' ASSOCIATION (US) 1976-11-16 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 (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 ALDH1A1 541/4885MAPT 4690/4885PTGS1 3/4885
US-20090227597-A1 PYRAZOLOPYRIMIDINONES AS PHOSPHODIESTERASE INHIBITORS PDE3A, PDE3B, PDE2A ALDH1A1 461/4885MAPT 4817/4885PTGS1 337/4885

“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.