SCHEMBL5099462

SCHEMBL5099462

NC(=O)CNCCCc1ccc(C(F)(F)F)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.51
KCNH2 Q12809 1/20 0.51
PTGDR2 Q9Y5Y4 4/20 0.47
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TACR1 P25103 2/20 0.38
BACE1 P56817 1/20 0.38
S1PR4 O95977 2/20 0.37
S1PR5 Q9H228 2/20 0.37
FABP4 P15090 1/20 0.37
FAAH O00519 1/20 0.37
F10 P00742 1/20 0.36

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
SCHEMBL5105826 0.84 CTSK (0.39) CTSKKCNH2ALDH1A1F10
SCHEMBL5099470 0.84 TACR1 (0.41) CTSKKCNH2PTGDR2CYSLTR2CYSLTR1
SCHEMBL5099485 0.84 CTSK (0.54) CTSKKCNH2S1PR4S1PR5
SCHEMBL5099405 0.82 ACLY (0.46) CTSKKCNH2PTGDR2ALDH1A1KDM4E
SCHEMBL5097034 0.82 CTSK (0.47) CTSKKCNH2S1PR1ALDH1A1KDM4E
SCHEMBL5099924 0.81 HDAC3 (0.45) CTSKKCNH2KDM4E
SCHEMBL9892688 0.79 PTGDR2 (0.53) PTGDR2ALDH1A1TACR1BACE1FABP4
SCHEMBL5106325 0.78 PTGDR2 (0.48) PTGDR2ALDH1A1
SCHEMBL5096891 0.74 HDAC1 (0.52) CTSKKCNH2KDM4EFAAH
SCHEMBL9892681 0.73 PTGDR2 (0.59) PTGDR2ALDH1A1TACR1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449477-B2 7-phenyl-isoquinoline-5-sulfonylamino derivatives as inhibitors of akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 US disclosed
EP-1689719-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2006-08-16 EP disclosed
WO-2005054202-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2005-06-16 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 (1 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-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms POLI, HRAS, CHUK CTSK 2152/4885KCNH2 2049/4885PTGDR2 2733/4885

“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.