SCHEMBL5789248

SCHEMBL5789248

Cc1cc2c(cc1OS(=O)(=O)C(F)(F)F)N(Cc1ccccc1)C(=O)C2(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.45
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
PGR P06401 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CTSG P08311 1/20 0.36
PRTN3 P24158 1/20 0.36
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
EP300 Q09472 1/20 0.35

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
SCHEMBL5789567 0.88 ELANE (0.48) ELANETDP1MAPTCYP2C19CYP3A4
SCHEMBL5756636 0.83 TDP1 (0.54) ELANETDP1MAPTALDH1A1ADAMTS5
SCHEMBL5757968 0.76 ELANE (0.55) ELANETDP1MAPTCYP2C19CYP3A4
SCHEMBL5792222 0.72 RXRA (0.53)
SCHEMBL16315749 0.71 ELANE (0.59) ELANETDP1MAPTCYP2C19CYP3A4
SCHEMBL5179538 0.71 ELANE (0.59) ELANETDP1MAPTCYP2C19CYP3A4
SCHEMBL30881990 0.69 ELANE (0.69) ELANETDP1MAPTALDH1A1TP53
SCHEMBL3147117 0.69 ELANE (0.69) ELANETDP1MAPTALDH1A1TP53
SCHEMBL31411532 0.68 ELANE (0.58) ELANETDP1MAPTALDH1A1TP53
SCHEMBL13233765 0.68 ELANE (0.58) ELANETDP1MAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases PFAHL MAGNUS 2006-10-26 US disclosed
US-7102000-B2 Heterocyclic amide derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2006-09-05 US disclosed
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases PFAHL MAGNUS 2006-07-20 US disclosed
US-7071218-B2 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases INCYTE SAN DIEGO INCORPORATED (US) 2006-07-04 US disclosed
EP-1487443-A4 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2006-04-12 EP disclosed
EP-1456187-A4 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2005-02-09 EP disclosed
EP-1487443-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-12-22 EP disclosed
EP-1456187-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-09-15 EP disclosed
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2003-11-20 US disclosed
WO-2003075924-A1 HETEROCYCLIC AMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-09-18 WO disclosed
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2003-07-31 US disclosed
WO-2003043998-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-05-30 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 (4 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-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP ELANE 2394/4885TDP1 3077/4885MAPT 4111/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP ELANE 2457/4885TDP1 3347/4885MAPT 4102/4885
US-20060241138-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases HDAC5, KAT5, IGFBP5 ELANE 4190/4885TDP1 4305/4885MAPT 4255/4885
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases GCKR, HDAC5, GPR119 ELANE 3992/4885TDP1 4267/4885MAPT 4401/4885

“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.