SCHEMBL3577601

SCHEMBL3577601

CCOC(=O)N1CCC(Nc2nc3cccc(C(=O)OC)c3o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
NOS2 P35228 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 3/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.47
SSTR5 P35346 1/20 0.47
CDK1 P06493 3/20 0.47
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
CDK2 P24941 3/20 0.47
RAB9A P51151 1/20 0.46
NOS1 P29475 4/20 0.46
NOS3 P29474 2/20 0.46
HTT P42858 2/20 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
SCHEMBL3578226 0.87 ALDH1A1 (0.49) KDM4EALDH1A1MAPK1MAPTCDK2
SCHEMBL3573616 0.81 SSTR5 (0.62) KDM4ENOS2ALDH1A1HPGDMAPK1
Bromide SCHEMBL9774884 0.81 SSTR5 (0.61) KDM4ENOS2ALDH1A1HPGDMAPK1
SCHEMBL13543060 0.80 RPS6KA2 (0.44) KDM4EALDH1A1MAPK1TSHRHSD17B10
SCHEMBL3578460 0.79 SSTR5 (0.70) SSTR5
SCHEMBL3579228 0.78 SSTR5 (0.69) SSTR5
SCHEMBL3577693 0.77 SSTR5 (0.70) SSTR5
SCHEMBL3570095 0.77 SSTR5 (0.70) SSTR5
SCHEMBL9774608 0.76 SSTR5 (0.58) KDM4ENOS2ALDH1A1HPGDMAPK1
SCHEMBL3565666 0.75 MAP4K4 (0.54) KDM4ENOS2LMNASSTR5NOS1

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
CN-101137660-B Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives as antidiabetic compounds HOFFMANN LA ROCHE 2011-06-15 CN disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
CN-101137660-A Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives as antidiabetic compounds HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 KDM4E 3736/4885NOS2 1447/4885ALDH1A1 934/4885

“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.