SCHEMBL4740968

SCHEMBL4740968

Fc1ccc2nccc(Nc3ccc(F)c(Cl)c3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.65
CCNC P24863 1/20 0.59
CDK8 P49336 1/20 0.59
GAK O14976 2/20 0.55
TGFBR1 P36897 2/20 0.53
PTK6 Q13882 1/20 0.53
EGFR P00533 6/20 0.52
MAPKAPK2 P49137 3/20 0.50
FADS1 O60427 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA9 Q16790 1/20 0.46
RIPK2 O43353 1/20 0.46
COQ8A Q8NI60 1/20 0.46
NLK Q9UBE8 1/20 0.46
TDO2 P48775 1/20 0.46

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
SCHEMBL23117519 0.87 CD38 (0.62) CD38GAKPTK6EGFRMAPKAPK2
SCHEMBL4961504 0.86 CD38 (0.61) CD38CCNCCDK8TGFBR1PTK6
SCHEMBL4787800 0.86 CD38 (0.64) CD38CCNCCDK8GAKPTK6
SCHEMBL6071699 0.85 FADS1 (0.68) CD38GAKTGFBR1PTK6EGFR
SCHEMBL19729003 0.84 CD38 (0.69) CD38TGFBR1PTK6EGFRMAPKAPK2
SCHEMBL4740996 0.84 FADS1 (0.71) CD38CCNCCDK8GAKTGFBR1
SCHEMBL19729035 0.82 CD38 (0.66) CD38TGFBR1PTK6EGFRMAPKAPK2
SCHEMBL4740984 0.81 PTK6 (0.53) CD38CDK8PTK6EGFRCYP1A2
SCHEMBL19729032 0.81 CD38 (0.64) CD38TGFBR1PTK6EGFRMAPKAPK2
SCHEMBL5948621 0.81 GRM1 (0.67) CD38PTK6EGFRFADS1CYP1A2

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
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-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
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-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY 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 (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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 CD38 1036/4885CCNC 814/4885CDK8 2820/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL CD38 252/4885CCNC 1045/4885CDK8 1943/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG CD38 2004/4885CCNC 2376/4885CDK8 4408/4885

“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.