SCHEMBL4742217

SCHEMBL4742217

COc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2-c1cccc(S(=O)(=O)N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.46
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR6 P50406 1/20 0.41
KDR P35968 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
PDE4B Q07343 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PGR P06401 1/20 0.39
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKR1C3 P42330 1/20 0.38

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 0.90 FADS1 (0.48) FADS1HTR6KDRMAPTTP53
SCHEMBL4741071 0.89 FADS1 (0.47) FADS1KDRMAPTTP53SMN1; SMN2
SCHEMBL4787302 0.88 FADS1 (0.46) FADS1ALDH1A1HTR6KDRMAPT
SCHEMBL4783624 0.85 MAPT (0.46) FADS1ALDH1A1KDM4EMAPTLMNA
SCHEMBL4740598 0.83 FADS1 (0.48) FADS1KDRMAPTTP53LMNA
SCHEMBL4738610 0.82 RORC (0.51) FADS1KDRMAPTPDE4BLMNA
SCHEMBL4737856 0.81 FADS1 (0.48) FADS1KDRMAPTLMNASMN1; SMN2
SCHEMBL4742030 0.81 MAPT (0.52) FADS1ALDH1A1KDRMAPTTP53
SCHEMBL4741035 0.81 MEN1 (0.50) FADS1KDRMAPTLMNASMN1; SMN2
SCHEMBL4740964 0.81 FADS1 (0.48) FADS1KDRMAPTTP53LMNA

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-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER 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 1059/4885ALDH1A1 752/4885KDM4E 4283/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885ALDH1A1 1249/4885KDM4E 3229/4885

“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.