SCHEMBL14696331

SCHEMBL14696331

CCCN(CC(C)c1ccc(O)c(C)c1)S(=O)(=O)c1ccc(-c2ccccn2)s1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
GHSR Q92847 2/20 0.41
ALDH1A1 P00352 1/20 0.38
PFKFB3 Q16875 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ESR1 P03372 5/20 0.37
CCR5 P51681 2/20 0.37
CAPN1 P07384 4/20 0.36
ESR2 Q92731 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL6329668 0.69 PKM (0.55) PKMALDH1A1PFKFB3RXFP1CCR5
SCHEMBL3686001 0.69 CES1 (0.43) PKMALDH1A1PFKFB3CCR5CAPN1
SCHEMBL6329666 0.67 PKM (0.55) PKMALDH1A1PFKFB3RXFP1CCR5
SCHEMBL3693997 0.66 CCR5 (0.38) PKMALDH1A1PFKFB3CCR5CAPN1
SCHEMBL13545247 0.65 KDM4E (0.56) PKMGHSRALDH1A1PFKFB3RXFP1
SCHEMBL13508467 0.65 PPARG (0.50) PKMALDH1A1PFKFB3CCR5
SCHEMBL13508430 0.65 PPARG (0.47) CCR5
SCHEMBL14393105 0.65 PKM (0.47) PKMGHSRALDH1A1PFKFB3CCR5
SCHEMBL14519927 0.64 KDM4E (0.55) PKMGHSRALDH1A1PFKFB3RXFP1
SCHEMBL6326184 0.64 PFKFB3 (0.54) PKMGHSRPFKFB3RXFP1CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744806-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVE USEFUL FOR THE TREATMENT OF DIABETES LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2744806-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVE USEFUL FOR THE TREATMENT OF DIABETES Eli Lilly and Company (US) 2014-06-25 EP disclosed
US-8431706-B2 1,2,3,4-tetrahydroqinoline derivative useful for the treatment of diabetes ELI LILLY AND COMPANY (US) 2013-04-30 US disclosed
WO-2013025424-A1 A Novel 1,2,3,4-Tetrahydroquinoline Derivative Useful for the Treatment of Diabetes ELI LILLY AND COMPANY (US) 2013-02-21 WO disclosed
US-20130045990-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVE USEFUL FOR THE TREATMENT OF DIABETES ELI LILLY AND COMPANY (US) 2013-02-21 US 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-20130045990-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVE USEFUL FOR THE TREATMENT OF DIABETES SLC5A1, SLC5A2, GPR119 PKM 3018/4885GHSR 1040/4885ALDH1A1 1401/4885

“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.