SCHEMBL4949447

SCHEMBL4949447

CCCSC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 2/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
PRSS1 P07477 5/20 0.45
CTSG P08311 5/20 0.45
CTRB1 P17538 5/20 0.45
CMA1 P23946 5/20 0.45
HPGD P15428 1/20 0.44
SLC1A2 P43004 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR2 P34972 1/20 0.43
NAAA Q02083 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4954062 0.91 ALDH1A1 (0.49) ALDH1A1RAB9APPARGPPARACYP1A2
SCHEMBL4951936 0.87 RAB9A (0.54) ALDH1A1RAB9APPARGPPARACYP1A2
SCHEMBL4953001 0.79 HDAC3 (0.51) ALDH1A1RAB9APPARGPPARACYP1A2
SCHEMBL4952857 0.78 SLC1A2 (0.50) ALDH1A1RAB9APPARGPPARANPC1
SCHEMBL4954259 0.78 NAAA (0.49) ALDH1A1NAAALMNA
SCHEMBL21535998 0.77 HDAC3 (0.53) CNR2TDP1LMNA
SCHEMBL4950132 0.75 CA2 (0.51) ALDH1A1RAB9ANPC1PRSS1CTSG
SCHEMBL4956296 0.74 KDM4E (0.39) ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL4951769 0.74 HDAC3 (0.55) ALDH1A1RAB9APPARGPPARACYP1A2
SCHEMBL11384453 0.73 TRPA1 (0.50) ALDH1A1RAB9APPARGPPARANPC1

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 ALDH1A1 679/4885RAB9A 3977/4885PPARG 173/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ALDH1A1 585/4885RAB9A 2142/4885PPARG 1582/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ALDH1A1 2079/4885RAB9A 1000/4885PPARG 3717/4885

“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.