SCHEMBL4951978

SCHEMBL4951978

CCCSCC(NC=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.35
METAP1 P53582 4/20 0.35
ACE P12821 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ICMT O60725 1/20 0.32
HDAC2 Q92769 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31

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
SCHEMBL4949791 0.90 MAPT (0.37) MAPTICMTHDAC2ADH1BADH1C
SCHEMBL4953095 0.85 MAPT (0.34) ACEALDH1A1MAPTICMTADH1B
SCHEMBL4954200 0.84 KDM4E (0.38) ALDH1A1TDP1HDAC2ADH1BADH1C
SCHEMBL23760612 0.79 FOLH1 (0.38) ALDH1A1MAPTADH1BADH1CADH1A
SCHEMBL771624 0.79 FOLH1 (0.38) ALDH1A1MAPTADH1BADH1CADH1A
SCHEMBL23829901 0.78 METAP2 (0.39) METAP2METAP1ACEMAPTTDP1
SCHEMBL14991078 0.76 MAPT (0.50) METAP2METAP1ACEALDH1A1MAPT
SCHEMBL4956217 0.76 MAPT (0.50) METAP2METAP1ACEALDH1A1MAPT
SCHEMBL19881279 0.76 ACE (0.46) ACE
SCHEMBL4949747 0.75 KDM4E (0.38) METAP2METAP1ALDH1A1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 US disclosed
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 US disclosed
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 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 (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-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 METAP2 2666/4885METAP1 3714/4885ACE 837/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 METAP2 3008/4885METAP1 2414/4885ACE 518/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 METAP2 3176/4885METAP1 1638/4885ACE 2720/4885

“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.