SCHEMBL6805601

SCHEMBL6805601

C=CCOC(=O)N1CCSC1=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
XDH P47989 1/20 0.35
FAAH O00519 3/20 0.33
CHRM1 P11229 1/20 0.33
CYP3A4 P08684 1/20 0.33
MGLL Q99685 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ERN1 O75460 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL31502955 0.80 MAPT (0.55) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL27563751 0.74 ERN1 (0.35) ALDH1A1HSD17B10LMNAMAPK1RAB9A
SCHEMBL10374140 0.73 MAPT (0.50) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL4185530 0.73 FAAH (0.39) MAPTKMT2AALDH1A1HSD17B10LMNA
SCHEMBL2525193 0.69 MAPT (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL4195675 0.68 NAAA (0.40) LMNAMAPK1RAB9AFAAHCYP3A4
SCHEMBL4194016 0.68 GAA (0.40) MAPTALDH1A1HSD17B10LMNAMAPK1
SCHEMBL1074852 0.68 LMNA (0.49) MAPTKMT2ACYP1A2CYP2C19LMNA
SCHEMBL30646950 0.67 RAB9A (0.34) ALDH1A1HSD17B10LMNAMAPK1RAB9A
SCHEMBL4195775 0.67 FAAH (0.38) SMN1; SMN2LMNAMAPK1RAB9AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762175-B2 LIPOPHILIC BIOLOGICALLY ACTIVE COMPOUND CONTAINING IN ITS MOLECULAR STRUCTURE ONE OR MORE FUNCTIONAL GROUPS SELECTED FROM ALCOHOL, ETHER, PHENYL, AMINO, AMIDO, THIOL, ACID AND ESTER IN WHICH ONE GROUP IS REPLACED BY LIPOPHILIC GROUP NORSK HYDRO ASA (NO) 2004-07-13 US disclosed
EP-0977725-B1 NEW FATTY ACID DERIVATIVES CONPHARMA AS (NO) 2004-06-16 EP disclosed
US-20040063677-A1 Methods of treating disorders using lipophilic derivatives NORSK HYDRO ASA 2004-04-01 US disclosed
US-20030153544-A1 Lipophilic biologically active compound containing in its molecular structure one or more functional groups selected from alcohol, ether, phenyl, amino, amido, thiol, acid and ester in which one group is replaced by lipophilic group CONPHARMA AS (NO) 2003-08-14 US disclosed
US-20010006962-A1 FATTY ACID DERIVATIVES NORSK HYDRO ASA (NO) 2001-07-05 US disclosed
EP-0148128-A2 Optically active penem compounds CIBA-GEIGY AG (CH) 1985-07-10 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 (3 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-20010006962-A1 FATTY ACID DERIVATIVES HADH, NR1H2, NR1H3 MAPT 2660/4885KMT2A 2289/4885ALDH1A1 684/4885
US-20040063677-A1 Methods of treating disorders using lipophilic derivatives NCEH1, NR1H2, NR1H3 MAPT 1862/4885KMT2A 2536/4885ALDH1A1 1118/4885
US-20030153544-A1 Lipophilic biologically active compound containing in its molecular structure one or more functional groups selected from alcohol, ether, phenyl, amino, amido, thiol, acid and ester in which one group is replaced by lipophilic group TSPO, NR1H2, NR1H3 MAPT 2299/4885KMT2A 2650/4885ALDH1A1 640/4885

“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.