SCHEMBL5981870

SCHEMBL5981870

CCOC(=O)CCCCn1c[c]nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.43
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FAAH O00519 3/20 0.39
AMPD2 Q01433 2/20 0.38
TBXAS1 P24557 1/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 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
SCHEMBL5983024 0.99 TNF (0.42) TNFCYP1A2ALDH1A1CYP3A4ALOX15
SCHEMBL5983224 0.99 TNF (0.42) TNFCYP1A2ALDH1A1CYP3A4ALOX15
SCHEMBL5982887 0.99 TNF (0.42) TNFCYP1A2ALDH1A1CYP3A4ALOX15
SCHEMBL5982629 0.95 CYP1A2 (0.42) TNFCYP1A2TBXAS1NR1I2PGR
SCHEMBL5982037 0.89 KAT2B (0.41) TNFCYP1A2ALDH1A1TSHRCYP4F2
SCHEMBL5981938 0.89 DGKA (0.42) TNFALDH1A1
SCHEMBL5982840 0.87 DGKA (0.45) TNFALDH1A1TSHR
SCHEMBL5981563 0.87 DGKA (0.45) TNFALDH1A1TSHR
SCHEMBL5982610 0.87 DGKA (0.45) TNFALDH1A1TSHR
SCHEMBL5982935 0.85 KAT2B (0.43) ALDH1A1TSHRFAAHAMPD2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1634888-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2006-03-15 EP disclosed
EP-1600451-A2 Synthesis of 2'-deoxy-l-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
EP-1600452-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
US-20050090660-A1 2'-deoxy-L-nucleosides PHARMASSET, INC. 2005-04-28 US disclosed
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0552765-B1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation THOMAE GMBH DR K (DE) 1996-08-14 EP disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed
EP-0556789-A2 Substituted biphenyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-25 EP disclosed
EP-0552765-A1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-07-28 EP 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 (1 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-20050090660-A1 2'-deoxy-L-nucleosides CCNH, ADAR, NSUN2 TNF 4224/4885CYP1A2 2603/4885ALDH1A1 4093/4885

“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.