SCHEMBL4787302

SCHEMBL4787302

CCS(=O)(=O)c1cccc(-n2nc(Nc3cccc(Cl)c3)c3cc(OC)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.46
KDR P35968 1/20 0.43
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
HTR6 P50406 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
PGR P06401 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
THRB P10828 1/20 0.39
EGFR P00533 2/20 0.39

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
SCHEMBL4737805 0.91 FADS1 (0.48) FADS1KDRMAPTTP53MEN1
SCHEMBL4741071 0.90 FADS1 (0.47) FADS1KDRMAPTTP53SMN1; SMN2
SCHEMBL4742217 0.88 FADS1 (0.46) FADS1KDRMAPTTP53MEN1
SCHEMBL4783624 0.86 MAPT (0.46) FADS1MAPTMEN1KMT2AGAA
SCHEMBL4740598 0.84 FADS1 (0.48) FADS1KDRMAPTTP53MEN1
SCHEMBL4737856 0.82 FADS1 (0.48) FADS1KDRMAPTMEN1KMT2A
SCHEMBL4742030 0.81 MAPT (0.52) FADS1KDRMAPTTP53MEN1
SCHEMBL4740964 0.81 FADS1 (0.48) FADS1KDRMAPTTP53MEN1
SCHEMBL4741035 0.81 MEN1 (0.50) FADS1KDRMAPTMEN1KMT2A
SCHEMBL4738667 0.80 MAPT (0.48) FADS1KDRMAPTTP53MEN1

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
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 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 (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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 FADS1 1059/4885KDR 1066/4885MAPT 1069/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885KDR 4840/4885MAPT 2635/4885

“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.